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

C17H18N8 — CID 95837886

IUPACN-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine
SMILESc1cnc(N2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)nc1
InChIInChI=1S/C17H18N8/c1-2-11-25(17-21-6-3-7-22-17)14(4-1)13-5-8-20-16(23-13)24-15-12-18-9-10-19-15/h3,5-10,12,14H,1-2,4,11H2,(H,19,20,23,24)/t14-/m0/s1
InChIKeyIDOVRWQHFQBLOZ-AWEZNQCLSA-N
MW334.39 g/mol
LogP2.53
Rot. Bonds4

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

N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine (PubChem CID 95837886) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine
PubChem CID95837886
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine
SMILESc1cnc(N2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)nc1
InChIInChI=1S/C17H18N8/c1-2-11-25(17-21-6-3-7-22-17)14(4-1)13-5-8-20-16(23-13)24-15-12-18-9-10-19-15/h3,5-10,12,14H,1-2,4,11H2,(H,19,20,23,24)/t14-/m0/s1
InChIKeyIDOVRWQHFQBLOZ-AWEZNQCLSA-N
XLogP2.53
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837637
2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine
CID 95842576
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
4-phenyl-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 95838014
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol
CID 95837810
2-(4-fluorophenyl)-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837862
cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267387
4-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-2-amine
CID 110266729
2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 95820566
2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol
CID 110094417
4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride
CID 171688132

Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine (CID 95837886) is N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine is c1cnc(N2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)nc1.
What is the InChIKey of N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine?
The InChIKey is IDOVRWQHFQBLOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N8/c1-2-11-25(17-21-6-3-7-22-17)14(4-1)13-5-8-20-16(23-13)24-15-12-18-9-10-19-15/h3,5-10,12,14H,1-2,4,11H2,(H,19,20,23,24)/t14-/m0/s1.
What are the key properties of N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine?
N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine has a molecular weight of 334.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95837886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).