N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine

C22H28N6OS — CID 95832813

IUPACN-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
SMILESCOCCc1ncc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cn1
InChIInChI=1S/C22H28N6OS/c1-15-9-18(27-22-25-11-16(2)30-22)10-19(26-15)20-5-4-7-28(20)14-17-12-23-21(24-13-17)6-8-29-3/h9-13,20H,4-8,14H2,1-3H3,(H,25,26,27)/t20-/m1/s1
InChIKeyUFGMWTYCSTWAHE-HXUWFJFHSA-N
MW424.57 g/mol
LogP4.21
Rot. Bonds8

About N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine

N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 95832813) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID95832813
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC NameN-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
SMILESCOCCc1ncc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cn1
InChIInChI=1S/C22H28N6OS/c1-15-9-18(27-22-25-11-16(2)30-22)10-19(26-15)20-5-4-7-28(20)14-17-12-23-21(24-13-17)6-8-29-3/h9-13,20H,4-8,14H2,1-3H3,(H,25,26,27)/t20-/m1/s1
InChIKeyUFGMWTYCSTWAHE-HXUWFJFHSA-N
XLogP4.21
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[2-[(2S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 95832812
N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093602
5-methyl-N-[2-methyl-6-(1-pyrimidin-2-ylpyrrolidin-2-yl)-4-pyridinyl]-1,3-thiazol-2-amine
CID 110262807
2-(2,4-difluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95832743
1-[2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110262904
1-[(2S)-2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 95832856
2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine
CID 95834977
(2-methyl-1,3-benzothiazol-6-yl)-[(2R)-2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95832737
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95832617
5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 175658571
[2-ethoxy-5-[[(2S)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]methanol
CID 95832823
N-[6-[1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 175659043

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine (CID 95832813) is N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine is COCCc1ncc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cn1.
What is the InChIKey of N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is UFGMWTYCSTWAHE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-15-9-18(27-22-25-11-16(2)30-22)10-19(26-15)20-5-4-7-28(20)14-17-12-23-21(24-13-17)6-8-29-3/h9-13,20H,4-8,14H2,1-3H3,(H,25,26,27)/t20-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 424.57 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 95832813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).