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

C19H35N5 — CID 19141056

IUPAC6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(NC2CCCCCC2)c1N
InChIInChI=1S/C19H35N5/c1-14(2)11-24(12-15(3)4)19-17(20)18(21-13-22-19)23-16-9-7-5-6-8-10-16/h13-16H,5-12,20H2,1-4H3,(H,21,22,23)
InChIKeyZUHIZAAIZNAOSO-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.31
Rot. Bonds7

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

6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine (PubChem CID 19141056) has the molecular formula C19H35N5 and a molecular weight of 333.52 g/mol. Its IUPAC name is 6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
PubChem CID19141056
Molecular FormulaC19H35N5
Molecular Weight333.52 g/mol
Exact Mass333.29
IUPAC Name6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(NC2CCCCCC2)c1N
InChIInChI=1S/C19H35N5/c1-14(2)11-24(12-15(3)4)19-17(20)18(21-13-22-19)23-16-9-7-5-6-8-10-16/h13-16H,5-12,20H2,1-4H3,(H,21,22,23)
InChIKeyZUHIZAAIZNAOSO-UHFFFAOYSA-N
XLogP4.31
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine (CID 19141056) is 6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine is CC(C)CN(CC(C)C)c1ncnc(NC2CCCCCC2)c1N.
What is the InChIKey of 6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The InChIKey is ZUHIZAAIZNAOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5/c1-14(2)11-24(12-15(3)4)19-17(20)18(21-13-22-19)23-16-9-7-5-6-8-10-16/h13-16H,5-12,20H2,1-4H3,(H,21,22,23).
What are the key properties of 6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine has a molecular weight of 333.52 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19141056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).