6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine

C14H19N3OS — CID 66326238

IUPAC6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
SMILESCCCC(Nc1ncnc(OC)c1C)c1cccs1
InChIInChI=1S/C14H19N3OS/c1-4-6-11(12-7-5-8-19-12)17-13-10(2)14(18-3)16-9-15-13/h5,7-9,11H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyIISCUEIKGSYUQY-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.81
Rot. Bonds6

About 6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine

6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine (PubChem CID 66326238) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
PubChem CID66326238
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
SMILESCCCC(Nc1ncnc(OC)c1C)c1cccs1
InChIInChI=1S/C14H19N3OS/c1-4-6-11(12-7-5-8-19-12)17-13-10(2)14(18-3)16-9-15-13/h5,7-9,11H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyIISCUEIKGSYUQY-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897
6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
CID 63271983
5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one
CID 136974958
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
6-ethoxy-5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 66327692
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine (CID 66326238) is 6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine is CCCC(Nc1ncnc(OC)c1C)c1cccs1.
What is the InChIKey of 6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine?
The InChIKey is IISCUEIKGSYUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-6-11(12-7-5-8-19-12)17-13-10(2)14(18-3)16-9-15-13/h5,7-9,11H,4,6H2,1-3H3,(H,15,16,17).
What are the key properties of 6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine?
6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine has a molecular weight of 277.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 66326238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).