4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine

C14H19N3OS — CID 112638235

IUPAC4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCc2cscc2C)n1
InChIInChI=1S/C14H19N3OS/c1-4-5-18-13-6-11(3)16-14(17-13)15-7-12-9-19-8-10(12)2/h6,8-9H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyCXCOYYIMXBNVNO-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.56
Rot. Bonds6

About 4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine

4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine (PubChem CID 112638235) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine
PubChem CID112638235
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCc2cscc2C)n1
InChIInChI=1S/C14H19N3OS/c1-4-5-18-13-6-11(3)16-14(17-13)15-7-12-9-19-8-10(12)2/h6,8-9H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyCXCOYYIMXBNVNO-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112636987
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106374140
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine (CID 112638235) is 4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCc2cscc2C)n1.
What is the InChIKey of 4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine?
The InChIKey is CXCOYYIMXBNVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-5-18-13-6-11(3)16-14(17-13)15-7-12-9-19-8-10(12)2/h6,8-9H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine?
4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 112638235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).