2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine

C17H28N4 — CID 80959481

IUPAC2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCCCC2C)nc(C2CC2)n1
InChIInChI=1S/C17H28N4/c1-3-18-15-11-16(21-17(20-15)13-9-10-13)19-14-8-6-4-5-7-12(14)2/h11-14H,3-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyUJPSTRQXCCZKLC-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.17
Rot. Bonds5

About 2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine (PubChem CID 80959481) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
PubChem CID80959481
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCCCC2C)nc(C2CC2)n1
InChIInChI=1S/C17H28N4/c1-3-18-15-11-16(21-17(20-15)13-9-10-13)19-14-8-6-4-5-7-12(14)2/h11-14H,3-10H2,1-2H3,(H2,18,19,20,21)
InChIKeyUJPSTRQXCCZKLC-UHFFFAOYSA-N
XLogP4.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine (CID 80959481) is 2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine is CCNc1cc(NC2CCCCCC2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine?
The InChIKey is UJPSTRQXCCZKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-18-15-11-16(21-17(20-15)13-9-10-13)19-14-8-6-4-5-7-12(14)2/h11-14H,3-10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80959481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).