4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine

C15H22N6O2 — CID 19141594

IUPAC4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESCOCCN(CCOC)c1ncnc(Nc2cccnc2)c1N
InChIInChI=1S/C15H22N6O2/c1-22-8-6-21(7-9-23-2)15-13(16)14(18-11-19-15)20-12-4-3-5-17-10-12/h3-5,10-11H,6-9,16H2,1-2H3,(H,18,19,20)
InChIKeyNCDAQNMNOAMVMF-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.30
Rot. Bonds9

About 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine

4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine (PubChem CID 19141594) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
PubChem CID19141594
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESCOCCN(CCOC)c1ncnc(Nc2cccnc2)c1N
InChIInChI=1S/C15H22N6O2/c1-22-8-6-21(7-9-23-2)15-13(16)14(18-11-19-15)20-12-4-3-5-17-10-12/h3-5,10-11H,6-9,16H2,1-2H3,(H,18,19,20)
InChIKeyNCDAQNMNOAMVMF-UHFFFAOYSA-N
XLogP1.30
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-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-(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,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19141680
4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145512
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
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141697
6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145475
6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22547831
6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135778
6-(2,2-diphenylhydrazinyl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145412

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine (CID 19141594) is 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine is COCCN(CCOC)c1ncnc(Nc2cccnc2)c1N.
What is the InChIKey of 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The InChIKey is NCDAQNMNOAMVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-22-8-6-21(7-9-23-2)15-13(16)14(18-11-19-15)20-12-4-3-5-17-10-12/h3-5,10-11H,6-9,16H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine has a molecular weight of 318.38 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19141594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).