N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine

C15H21N5S — CID 124948743

IUPACN,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1nc([C@@H]2CCCN2Cc2cscn2)cc(N(C)C)n1
InChIInChI=1S/C15H21N5S/c1-11-17-13(7-15(18-11)19(2)3)14-5-4-6-20(14)8-12-9-21-10-16-12/h7,9-10,14H,4-6,8H2,1-3H3/t14-/m0/s1
InChIKeyCPCWUSMPTIZMHK-AWEZNQCLSA-N
MW303.44 g/mol
LogP2.64
Rot. Bonds4

About N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine

N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 124948743) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID124948743
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1nc([C@@H]2CCCN2Cc2cscn2)cc(N(C)C)n1
InChIInChI=1S/C15H21N5S/c1-11-17-13(7-15(18-11)19(2)3)14-5-4-6-20(14)8-12-9-21-10-16-12/h7,9-10,14H,4-6,8H2,1-3H3/t14-/m0/s1
InChIKeyCPCWUSMPTIZMHK-AWEZNQCLSA-N
XLogP2.64
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine with MolForge

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Related Compounds

5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole
CID 99943755
6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 124955563
6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 110113735
N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine
CID 125022398
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
N,N,6-trimethyl-2-[(3R)-4-(1,3-thiazol-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 124995845
3,5-dimethyl-4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 99931192
3-methyl-N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 124957204
N,N-dimethyl-6-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 124976389
N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124954569
4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 126787336
6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
CID 110111594

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine (CID 124948743) is N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine is Cc1nc([C@@H]2CCCN2Cc2cscn2)cc(N(C)C)n1.
What is the InChIKey of N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is CPCWUSMPTIZMHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5S/c1-11-17-13(7-15(18-11)19(2)3)14-5-4-6-20(14)8-12-9-21-10-16-12/h7,9-10,14H,4-6,8H2,1-3H3/t14-/m0/s1.
What are the key properties of N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 303.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 124948743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).