4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine

C17H28N4 — CID 107403149

IUPAC4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)CC2CCC2)nc(C2CC2)n1
InChIInChI=1S/C17H28N4/c1-3-10-18-15-11-16(20-17(19-15)14-8-9-14)21(4-2)12-13-6-5-7-13/h11,13-14H,3-10,12H2,1-2H3,(H,18,19,20)
InChIKeyWZIFJJJGUYMFEP-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.80
Rot. Bonds8

About 4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 107403149) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID107403149
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)CC2CCC2)nc(C2CC2)n1
InChIInChI=1S/C17H28N4/c1-3-10-18-15-11-16(20-17(19-15)14-8-9-14)21(4-2)12-13-6-5-7-13/h11,13-14H,3-10,12H2,1-2H3,(H,18,19,20)
InChIKeyWZIFJJJGUYMFEP-UHFFFAOYSA-N
XLogP3.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 107403005
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80967188
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide
CID 80961853
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
4-N-butyl-2-cyclopropyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80955798
2-cyclopropyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80967706
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80959411
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80967980
6-N-(cyclopropylmethyl)-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80838817

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 107403149) is 4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(CC)CC2CCC2)nc(C2CC2)n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is WZIFJJJGUYMFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-10-18-15-11-16(20-17(19-15)14-8-9-14)21(4-2)12-13-6-5-7-13/h11,13-14H,3-10,12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 107403149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).