6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine

C18H21N7S — CID 110111594

IUPAC6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2ncccn2)nc(C2CCCCN2Cc2cscn2)n1
InChIInChI=1S/C18H21N7S/c1-13-9-16(24-18-19-6-4-7-20-18)23-17(22-13)15-5-2-3-8-25(15)10-14-11-26-12-21-14/h4,6-7,9,11-12,15H,2-3,5,8,10H2,1H3,(H,19,20,22,23,24)
InChIKeyIIMLMYMGMPPCCJ-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.50
Rot. Bonds5

About 6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine

6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine (PubChem CID 110111594) has the molecular formula C18H21N7S and a molecular weight of 367.48 g/mol. Its IUPAC name is 6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
PubChem CID110111594
Molecular FormulaC18H21N7S
Molecular Weight367.48 g/mol
Exact Mass367.16
IUPAC Name6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2ncccn2)nc(C2CCCCN2Cc2cscn2)n1
InChIInChI=1S/C18H21N7S/c1-13-9-16(24-18-19-6-4-7-20-18)23-17(22-13)15-5-2-3-8-25(15)10-14-11-26-12-21-14/h4,6-7,9,11-12,15H,2-3,5,8,10H2,1H3,(H,19,20,22,23,24)
InChIKeyIIMLMYMGMPPCCJ-UHFFFAOYSA-N
XLogP3.50
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 124986410
N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124954569
6-methyl-2-[(2R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 124998212
6-methyl-2-[1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110095417
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine
CID 175661324
3-methyl-N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 124957204
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
N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 142770135
5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole
CID 99943755
1-[(2R)-2-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95842240
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 155985353

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine (CID 110111594) is 6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine is Cc1cc(Nc2ncccn2)nc(C2CCCCN2Cc2cscn2)n1.
What is the InChIKey of 6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine?
The InChIKey is IIMLMYMGMPPCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7S/c1-13-9-16(24-18-19-6-4-7-20-18)23-17(22-13)15-5-2-3-8-25(15)10-14-11-26-12-21-14/h4,6-7,9,11-12,15H,2-3,5,8,10H2,1H3,(H,19,20,22,23,24).
What are the key properties of 6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine?
6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine has a molecular weight of 367.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 110111594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).