4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine

C14H26N6 — CID 24797512

IUPAC4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
SMILESCN(C)CCNc1cc(NC2CCCCC2)nc(N)n1
InChIInChI=1S/C14H26N6/c1-20(2)9-8-16-12-10-13(19-14(15)18-12)17-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyATGSJCGBMXIACZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.78
Rot. Bonds6

About 4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine

4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 24797512) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
PubChem CID24797512
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
SMILESCN(C)CCNc1cc(NC2CCCCC2)nc(N)n1
InChIInChI=1S/C14H26N6/c1-20(2)9-8-16-12-10-13(19-14(15)18-12)17-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyATGSJCGBMXIACZ-UHFFFAOYSA-N
XLogP1.78
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine (CID 24797512) is 4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine is CN(C)CCNc1cc(NC2CCCCC2)nc(N)n1.
What is the InChIKey of 4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is ATGSJCGBMXIACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-20(2)9-8-16-12-10-13(19-14(15)18-12)17-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 278.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 24797512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).