2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine

C17H18N8 — CID 95820566

IUPAC2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc([C@H]2CCCN2c2ncccn2)n1
InChIInChI=1S/C17H18N8/c1-12-22-13(11-15(23-12)24-16-18-6-3-7-19-16)14-5-2-10-25(14)17-20-8-4-9-21-17/h3-4,6-9,11,14H,2,5,10H2,1H3,(H,18,19,22,23,24)/t14-/m1/s1
InChIKeyJZGRYTHYUDZIKG-CQSZACIVSA-N
MW334.39 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine

2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 95820566) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID95820566
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc([C@H]2CCCN2c2ncccn2)n1
InChIInChI=1S/C17H18N8/c1-12-22-13(11-15(23-12)24-16-18-6-3-7-19-16)14-5-2-10-25(14)17-20-8-4-9-21-17/h3-4,6-9,11,14H,2,5,10H2,1H3,(H,18,19,22,23,24)/t14-/m1/s1
InChIKeyJZGRYTHYUDZIKG-CQSZACIVSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine (CID 95820566) is 2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine is Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2c2ncccn2)n1.
What is the InChIKey of 2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is JZGRYTHYUDZIKG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N8/c1-12-22-13(11-15(23-12)24-16-18-6-3-7-19-16)14-5-2-10-25(14)17-20-8-4-9-21-17/h3-4,6-9,11,14H,2,5,10H2,1H3,(H,18,19,22,23,24)/t14-/m1/s1.
What are the key properties of 2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine?
2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 334.39 g/mol, XLogP of 2.45, 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-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 95820566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).