2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine

C13H24N6 — CID 54585779

IUPAC2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(N(C)C(C)C)n2)C1
InChIInChI=1S/C13H24N6/c1-9(2)18(4)13-16-11(14)7-12(17-13)19-6-5-10(8-19)15-3/h7,9-10,15H,5-6,8H2,1-4H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyVOKNXLPPDJDMCQ-SNVBAGLBSA-N
MW264.38 g/mol
LogP0.70
Rot. Bonds4

About 2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine

2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 54585779) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID54585779
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(N(C)C(C)C)n2)C1
InChIInChI=1S/C13H24N6/c1-9(2)18(4)13-16-11(14)7-12(17-13)19-6-5-10(8-19)15-3/h7,9-10,15H,5-6,8H2,1-4H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyVOKNXLPPDJDMCQ-SNVBAGLBSA-N
XLogP0.70
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 54585779) is 2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine is CN[C@@H]1CCN(c2cc(N)nc(N(C)C(C)C)n2)C1.
What is the InChIKey of 2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is VOKNXLPPDJDMCQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N6/c1-9(2)18(4)13-16-11(14)7-12(17-13)19-6-5-10(8-19)15-3/h7,9-10,15H,5-6,8H2,1-4H3,(H2,14,16,17)/t10-/m1/s1.
What are the key properties of 2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 54585779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).