2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

C16H21N5 — CID 80960959

IUPAC2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccncc2)nc(C2CC2)n1
InChIInChI=1S/C16H21N5/c1-2-18-14-11-15(21-16(20-14)13-3-4-13)19-10-7-12-5-8-17-9-6-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3,(H2,18,19,20,21)
InChIKeyQJHCWSHPMAELAF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.84
Rot. Bonds7

About 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80960959) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID80960959
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccncc2)nc(C2CC2)n1
InChIInChI=1S/C16H21N5/c1-2-18-14-11-15(21-16(20-14)13-3-4-13)19-10-7-12-5-8-17-9-6-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3,(H2,18,19,20,21)
InChIKeyQJHCWSHPMAELAF-UHFFFAOYSA-N
XLogP2.84
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine 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,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80933212
2-cyclopropyl-6-N-methyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968028
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456429
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
2-cyclopropyl-6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80957729
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952338
2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80960493
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80959054
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (CID 80960959) is 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is CCNc1cc(NCCc2ccncc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is QJHCWSHPMAELAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-18-14-11-15(21-16(20-14)13-3-4-13)19-10-7-12-5-8-17-9-6-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 283.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80960959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).