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

C13H24N6 — CID 54581940

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

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

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 54581940) 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]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID54581940
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)n2)C1
InChIInChI=1S/C13H24N6/c1-9(2)7-16-13-17-11(14)6-12(18-13)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
InChIKeyGCRPPSFRMMXKJN-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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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 54581940) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)n2)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is GCRPPSFRMMXKJN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N6/c1-9(2)7-16-13-17-11(14)6-12(18-13)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]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-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]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 54581940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).