4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

C17H32N4 — CID 80949421

IUPAC4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCN(CCCC)c1cc(NCC)nc(C(C)C)n1
InChIInChI=1S/C17H32N4/c1-6-9-11-21(12-10-7-2)16-13-15(18-8-3)19-17(20-16)14(4)5/h13-14H,6-12H2,1-5H3,(H,18,19,20)
InChIKeyCKQHPQFPWKQCKY-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.44
Rot. Bonds10

About 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80949421) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80949421
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCN(CCCC)c1cc(NCC)nc(C(C)C)n1
InChIInChI=1S/C17H32N4/c1-6-9-11-21(12-10-7-2)16-13-15(18-8-3)19-17(20-16)14(4)5/h13-14H,6-12H2,1-5H3,(H,18,19,20)
InChIKeyCKQHPQFPWKQCKY-UHFFFAOYSA-N
XLogP4.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-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

4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959806
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80961038
6-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967785
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961199
6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80959784
2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80960984
N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80969280
6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956228
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80948063
4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967348

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80949421) is 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is CCCCN(CCCC)c1cc(NCC)nc(C(C)C)n1.
What is the InChIKey of 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is CKQHPQFPWKQCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-9-11-21(12-10-7-2)16-13-15(18-8-3)19-17(20-16)14(4)5/h13-14H,6-12H2,1-5H3,(H,18,19,20).
What are the key properties of 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80949421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).