4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine

C14H24N4S — CID 80799568

IUPAC4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCCCN(c1cc(NCC)nc(SC)n1)C1CC1
InChIInChI=1S/C14H24N4S/c1-4-6-9-18(11-7-8-11)13-10-12(15-5-2)16-14(17-13)19-3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyUHGCOSALZLRWPZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.40
Rot. Bonds8

About 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80799568) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80799568
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCCCN(c1cc(NCC)nc(SC)n1)C1CC1
InChIInChI=1S/C14H24N4S/c1-4-6-9-18(11-7-8-11)13-10-12(15-5-2)16-14(17-13)19-3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyUHGCOSALZLRWPZ-UHFFFAOYSA-N
XLogP3.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine with MolForge

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Related Compounds

3-[cyclopropyl-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanenitrile
CID 80810314
4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775647
4-N-butyl-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80753744
6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80809346
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 82745901
N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895719
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80962129
4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80799416
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 80799495
6-N-ethyl-4-N-(2-methoxyethyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80787308
2-[cyclobutyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethanol
CID 102875637

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80799568) is 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine is CCCCN(c1cc(NCC)nc(SC)n1)C1CC1.
What is the InChIKey of 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is UHGCOSALZLRWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-4-6-9-18(11-7-8-11)13-10-12(15-5-2)16-14(17-13)19-3/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 280.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80799568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).