6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine

C12H13ClN4O — CID 82459286

IUPAC6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)nc(C2CC2)nc1NCc1ccco1
InChIInChI=1S/C12H13ClN4O/c13-10-9(14)12(15-6-8-2-1-5-18-8)17-11(16-10)7-3-4-7/h1-2,5,7H,3-4,6,14H2,(H,15,16,17)
InChIKeyOLBXLMHNOUTNOX-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.79
Rot. Bonds4

About 6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine

6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 82459286) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID82459286
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)nc(C2CC2)nc1NCc1ccco1
InChIInChI=1S/C12H13ClN4O/c13-10-9(14)12(15-6-8-2-1-5-18-8)17-11(16-10)7-3-4-7/h1-2,5,7H,3-4,6,14H2,(H,15,16,17)
InChIKeyOLBXLMHNOUTNOX-UHFFFAOYSA-N
XLogP2.79
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine (CID 82459286) is 6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine is Nc1c(Cl)nc(C2CC2)nc1NCc1ccco1.
What is the InChIKey of 6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is OLBXLMHNOUTNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-10-9(14)12(15-6-8-2-1-5-18-8)17-11(16-10)7-3-4-7/h1-2,5,7H,3-4,6,14H2,(H,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine?
6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 264.72 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).