6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

C13H24N6 — CID 24745337

IUPAC6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(NCC(C)C)nc(N)n2)C1
InChIInChI=1S/C13H24N6/c1-9(2)7-16-11-6-12(18-13(14)17-11)19-5-4-10(8-19)15-3/h6,9-10,15H,4-5,7-8H2,1-3H3,(H3,14,16,17,18)/t10-/m1/s1
InChIKeyWCCSMIHUOXEBSQ-SNVBAGLBSA-N
MW264.38 g/mol
LogP0.92
Rot. Bonds5

About 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 24745337) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID24745337
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(NCC(C)C)nc(N)n2)C1
InChIInChI=1S/C13H24N6/c1-9(2)7-16-11-6-12(18-13(14)17-11)19-5-4-10(8-19)15-3/h6,9-10,15H,4-5,7-8H2,1-3H3,(H3,14,16,17,18)/t10-/m1/s1
InChIKeyWCCSMIHUOXEBSQ-SNVBAGLBSA-N
XLogP0.92
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Adriforant
CID 24745335
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
4-N-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 16202258
n4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 24797598
4-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine
CID 14585243
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
(R)-N4-cyclopentyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54587790
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035
N4-(3,3-dimethylbutyl)-6-(3-(methylamino)azetidin-1-yl)pyrimidine-2,4-diamine
CID 24745506
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 24745337) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is CN[C@@H]1CCN(c2cc(NCC(C)C)nc(N)n2)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is WCCSMIHUOXEBSQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N6/c1-9(2)7-16-11-6-12(18-13(14)17-11)19-5-4-10(8-19)15-3/h6,9-10,15H,4-5,7-8H2,1-3H3,(H3,14,16,17,18)/t10-/m1/s1.
What are the key properties of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 24745337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).