4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

C19H27N5 — CID 19138132

IUPAC4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2ccccc2)ncnc1NC1CCCCCC1
InChIInChI=1S/C19H27N5/c20-17-18(21-13-12-15-8-4-3-5-9-15)22-14-23-19(17)24-16-10-6-1-2-7-11-16/h3-5,8-9,14,16H,1-2,6-7,10-13,20H2,(H2,21,22,23,24)
InChIKeyFGRTWZRJQXBLAK-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.85
Rot. Bonds6

About 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19138132) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
PubChem CID19138132
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2ccccc2)ncnc1NC1CCCCCC1
InChIInChI=1S/C19H27N5/c20-17-18(21-13-12-15-8-4-3-5-9-15)22-14-23-19(17)24-16-10-6-1-2-7-11-16/h3-5,8-9,14,16H,1-2,6-7,10-13,20H2,(H2,21,22,23,24)
InChIKeyFGRTWZRJQXBLAK-UHFFFAOYSA-N
XLogP3.85
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (CID 19138132) is 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is Nc1c(NCCc2ccccc2)ncnc1NC1CCCCCC1.
What is the InChIKey of 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is FGRTWZRJQXBLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c20-17-18(21-13-12-15-8-4-3-5-9-15)22-14-23-19(17)24-16-10-6-1-2-7-11-16/h3-5,8-9,14,16H,1-2,6-7,10-13,20H2,(H2,21,22,23,24).
What are the key properties of 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 325.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19138132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).