2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine

C14H20N4S — CID 80807804

IUPAC2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
SMILESCCCC(Nc1nc(NC)ncc1C)c1cccs1
InChIInChI=1S/C14H20N4S/c1-4-6-11(12-7-5-8-19-12)17-13-10(2)9-16-14(15-3)18-13/h5,7-9,11H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyJELMTLXGQXLUFQ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.84
Rot. Bonds6

About 2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine

2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine (PubChem CID 80807804) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
PubChem CID80807804
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
SMILESCCCC(Nc1nc(NC)ncc1C)c1cccs1
InChIInChI=1S/C14H20N4S/c1-4-6-11(12-7-5-8-19-12)17-13-10(2)9-16-14(15-3)18-13/h5,7-9,11H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyJELMTLXGQXLUFQ-UHFFFAOYSA-N
XLogP3.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
5-chloro-2-N-methyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807609
5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80783214
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 102757081
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 106997660
2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 97155845
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine (CID 80807804) is 2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine is CCCC(Nc1nc(NC)ncc1C)c1cccs1.
What is the InChIKey of 2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
The InChIKey is JELMTLXGQXLUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-6-11(12-7-5-8-19-12)17-13-10(2)9-16-14(15-3)18-13/h5,7-9,11H,4,6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80807804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).