4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine

C12H19N5O — CID 122491269

IUPAC4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
SMILESCOC1CCN(c2cc(NC3CC3)nc(N)n2)C1
InChIInChI=1S/C12H19N5O/c1-18-9-4-5-17(7-9)11-6-10(14-8-2-3-8)15-12(13)16-11/h6,8-9H,2-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyBBPHXVKHGAZGNH-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.86
Rot. Bonds4

About 4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine

4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine (PubChem CID 122491269) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
PubChem CID122491269
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
SMILESCOC1CCN(c2cc(NC3CC3)nc(N)n2)C1
InChIInChI=1S/C12H19N5O/c1-18-9-4-5-17(7-9)11-6-10(14-8-2-3-8)15-12(13)16-11/h6,8-9H,2-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyBBPHXVKHGAZGNH-UHFFFAOYSA-N
XLogP0.86
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine (CID 122491269) is 4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine is COC1CCN(c2cc(NC3CC3)nc(N)n2)C1.
What is the InChIKey of 4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is BBPHXVKHGAZGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-18-9-4-5-17(7-9)11-6-10(14-8-2-3-8)15-12(13)16-11/h6,8-9H,2-5,7H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 249.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 122491269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).