5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine

C15H24N6 — CID 66741227

IUPAC5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(CC2CC2)c(N2CC(N3CCCC3)C2)n1
InChIInChI=1S/C15H24N6/c16-13-12(7-10-3-4-10)14(19-15(17)18-13)21-8-11(9-21)20-5-1-2-6-20/h10-11H,1-9H2,(H4,16,17,18,19)
InChIKeyKBDMPMDCEVFACJ-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.88
Rot. Bonds4

About 5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine

5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine (PubChem CID 66741227) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine
PubChem CID66741227
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(CC2CC2)c(N2CC(N3CCCC3)C2)n1
InChIInChI=1S/C15H24N6/c16-13-12(7-10-3-4-10)14(19-15(17)18-13)21-8-11(9-21)20-5-1-2-6-20/h10-11H,1-9H2,(H4,16,17,18,19)
InChIKeyKBDMPMDCEVFACJ-UHFFFAOYSA-N
XLogP0.88
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine (CID 66741227) is 5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine is Nc1nc(N)c(CC2CC2)c(N2CC(N3CCCC3)C2)n1.
What is the InChIKey of 5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is KBDMPMDCEVFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c16-13-12(7-10-3-4-10)14(19-15(17)18-13)21-8-11(9-21)20-5-1-2-6-20/h10-11H,1-9H2,(H4,16,17,18,19).
What are the key properties of 5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine?
5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 288.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66741227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).