5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine

C16H24N4S — CID 80986238

IUPAC5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NC(CCC)c2cccs2)n1
InChIInChI=1S/C16H24N4S/c1-4-7-12(13-9-6-10-21-13)18-16-11(3)15(17)19-14(20-16)8-5-2/h6,9-10,12H,4-5,7-8H2,1-3H3,(H3,17,18,19,20)
InChIKeyLFTZWCDNZPIOFQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.33
Rot. Bonds7

About 5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine

5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine (PubChem CID 80986238) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
PubChem CID80986238
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NC(CCC)c2cccs2)n1
InChIInChI=1S/C16H24N4S/c1-4-7-12(13-9-6-10-21-13)18-16-11(3)15(17)19-14(20-16)8-5-2/h6,9-10,12H,4-5,7-8H2,1-3H3,(H3,17,18,19,20)
InChIKeyLFTZWCDNZPIOFQ-UHFFFAOYSA-N
XLogP4.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
CID 80981407
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
CID 63271983
6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine
CID 80979033
3,5-dichloro-6-hydrazinyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 102761807
5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80987707
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 66326238

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine (CID 80986238) is 5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NC(CCC)c2cccs2)n1.
What is the InChIKey of 5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
The InChIKey is LFTZWCDNZPIOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-7-12(13-9-6-10-21-13)18-16-11(3)15(17)19-14(20-16)8-5-2/h6,9-10,12H,4-5,7-8H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80986238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).