6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine

C13H17N7 — CID 95836671

IUPAC6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2nccc([C@H]3CCCN3)n2)ncn1
InChIInChI=1S/C13H17N7/c1-14-11-7-12(18-8-17-11)20-13-16-6-4-10(19-13)9-3-2-5-15-9/h4,6-9,15H,2-3,5H2,1H3,(H2,14,16,17,18,19,20)/t9-/m1/s1
InChIKeyBCPRURUHZWLTID-SECBINFHSA-N
MW271.33 g/mol
LogP1.48
Rot. Bonds4

About 6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine (PubChem CID 95836671) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
PubChem CID95836671
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2nccc([C@H]3CCCN3)n2)ncn1
InChIInChI=1S/C13H17N7/c1-14-11-7-12(18-8-17-11)20-13-16-6-4-10(19-13)9-3-2-5-15-9/h4,6-9,15H,2-3,5H2,1H3,(H2,14,16,17,18,19,20)/t9-/m1/s1
InChIKeyBCPRURUHZWLTID-SECBINFHSA-N
XLogP1.48
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 124957141
N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95836667
N-methyl-4-[(2S)-piperidin-2-yl]pyrimidin-2-amine
CID 95827769
4-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-2-amine
CID 110266729
N-(4-pyrrolidin-2-ylpyrimidin-2-yl)cyclopropanesulfonamide
CID 167035052
5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride
CID 171700358
6-N-methyl-4-N-[4-[(3S)-1-(quinoxalin-6-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 95837918
4-pyrrolidin-2-ylpyrimidin-2-amine
CID 53408029
4-N-[4-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]pyrimidin-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 124945204
N-methyl-6-[(2S)-pyrrolidin-2-yl]pyrazin-2-amine
CID 92615120
(5-fluoro-3-methyl-1H-indol-2-yl)-[3-[2-[[6-(methylamino)pyrimidin-4-yl]amino]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110089743
6-methyl-N-(6-pyrrolidin-2-yl-2-pyridinyl)pyridin-2-amine;hydrochloride
CID 71298661

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine (CID 95836671) is 6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine is CNc1cc(Nc2nccc([C@H]3CCCN3)n2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine?
The InChIKey is BCPRURUHZWLTID-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N7/c1-14-11-7-12(18-8-17-11)20-13-16-6-4-10(19-13)9-3-2-5-15-9/h4,6-9,15H,2-3,5H2,1H3,(H2,14,16,17,18,19,20)/t9-/m1/s1.
What are the key properties of 6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine has a molecular weight of 271.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 95836671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).