6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine

C16H29N5O2 — CID 19135778

IUPAC6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
SMILESCOCCN(CCOC)c1ncnc(NC2CCCCC2)c1N
InChIInChI=1S/C16H29N5O2/c1-22-10-8-21(9-11-23-2)16-14(17)15(18-12-19-16)20-13-6-4-3-5-7-13/h12-13H,3-11,17H2,1-2H3,(H,18,19,20)
InChIKeyIAMWGYSUBNYECL-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.90
Rot. Bonds9

About 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine

6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine (PubChem CID 19135778) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
PubChem CID19135778
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
SMILESCOCCN(CCOC)c1ncnc(NC2CCCCC2)c1N
InChIInChI=1S/C16H29N5O2/c1-22-10-8-21(9-11-23-2)16-14(17)15(18-12-19-16)20-13-6-4-3-5-7-13/h12-13H,3-11,17H2,1-2H3,(H,18,19,20)
InChIKeyIAMWGYSUBNYECL-UHFFFAOYSA-N
XLogP1.90
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141697
4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135849
6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141056
3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141537
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N,4-N-bis(2-methoxyethyl)-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19141684
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141579
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19141594
6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141696
N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 19141681
4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22540380

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine (CID 19135778) is 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine is COCCN(CCOC)c1ncnc(NC2CCCCC2)c1N.
What is the InChIKey of 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The InChIKey is IAMWGYSUBNYECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-22-10-8-21(9-11-23-2)16-14(17)15(18-12-19-16)20-13-6-4-3-5-7-13/h12-13H,3-11,17H2,1-2H3,(H,18,19,20).
What are the key properties of 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine has a molecular weight of 323.44 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).