2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine

C18H20N8 — CID 95842576

IUPAC2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2c2ncccn2)n1
InChIInChI=1S/C18H20N8/c1-13-23-14(12-16(24-13)25-17-19-7-4-8-20-17)15-6-2-3-11-26(15)18-21-9-5-10-22-18/h4-5,7-10,12,15H,2-3,6,11H2,1H3,(H,19,20,23,24,25)/t15-/m0/s1
InChIKeyWMZJJPQQTGCIBS-HNNXBMFYSA-N
MW348.41 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine

2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine (PubChem CID 95842576) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine
PubChem CID95842576
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2c2ncccn2)n1
InChIInChI=1S/C18H20N8/c1-13-23-14(12-16(24-13)25-17-19-7-4-8-20-17)15-6-2-3-11-26(15)18-21-9-5-10-22-18/h4-5,7-10,12,15H,2-3,6,11H2,1H3,(H,19,20,23,24,25)/t15-/m0/s1
InChIKeyWMZJJPQQTGCIBS-HNNXBMFYSA-N
XLogP2.84
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine with MolForge

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Related Compounds

2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 95820566
N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124986346
2-methyl-6-(1-methylpyrrolidin-2-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269635
N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylazetidin-2-yl]pyrimidin-4-amine
CID 95847255
2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
CID 110256879
2-methyl-6-[(2R)-1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 124997630
N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine
CID 95837886
2-hydroxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820622
2-methoxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820518
2-methyl-6-(1-methylpiperidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110255556
2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269979
3-methyl-1-[(2S)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 95823756

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine (CID 95842576) is 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine is Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2c2ncccn2)n1.
What is the InChIKey of 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine?
The InChIKey is WMZJJPQQTGCIBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N8/c1-13-23-14(12-16(24-13)25-17-19-7-4-8-20-17)15-6-2-3-11-26(15)18-21-9-5-10-22-18/h4-5,7-10,12,15H,2-3,6,11H2,1H3,(H,19,20,23,24,25)/t15-/m0/s1.
What are the key properties of 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine?
2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 95842576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).