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

C13H22N6 — CID 24745834

IUPAC6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(NC3CC3C)nc(N)n2)C1
InChIInChI=1S/C13H22N6/c1-8-5-10(8)16-11-6-12(18-13(14)17-11)19-4-3-9(7-19)15-2/h6,8-10,15H,3-5,7H2,1-2H3,(H3,14,16,17,18)/t8?,9-,10?/m1/s1
InChIKeyDLXPYHMMYYDLPP-HWOCKDDLSA-N
MW262.36 g/mol
LogP0.68
Rot. Bonds4

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

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine (PubChem CID 24745834) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
PubChem CID24745834
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(NC3CC3C)nc(N)n2)C1
InChIInChI=1S/C13H22N6/c1-8-5-10(8)16-11-6-12(18-13(14)17-11)19-4-3-9(7-19)15-2/h6,8-10,15H,3-5,7H2,1-2H3,(H3,14,16,17,18)/t8?,9-,10?/m1/s1
InChIKeyDLXPYHMMYYDLPP-HWOCKDDLSA-N
XLogP0.68
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.68
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]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine (CID 24745834) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine is CN[C@@H]1CCN(c2cc(NC3CC3C)nc(N)n2)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine?
The InChIKey is DLXPYHMMYYDLPP-HWOCKDDLSA-N. The full InChI is InChI=1S/C13H22N6/c1-8-5-10(8)16-11-6-12(18-13(14)17-11)19-4-3-9(7-19)15-2/h6,8-10,15H,3-5,7H2,1-2H3,(H3,14,16,17,18)/t8?,9-,10?/m1/s1.
What are the key properties of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine has a molecular weight of 262.36 g/mol, XLogP of 0.68, 4 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-methylcyclopropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 24745834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).