N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine

C14H19N3OS — CID 106013343

IUPACN-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCc2ccc(CC)s2)n1
InChIInChI=1S/C14H19N3OS/c1-3-9-18-13-7-8-15-14(17-13)16-10-12-6-5-11(4-2)19-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,16,17)
InChIKeyXUCCTUGEFIMWAJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.50
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine

N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine (PubChem CID 106013343) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
PubChem CID106013343
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCc2ccc(CC)s2)n1
InChIInChI=1S/C14H19N3OS/c1-3-9-18-13-7-8-15-14(17-13)16-10-12-6-5-11(4-2)19-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,16,17)
InChIKeyXUCCTUGEFIMWAJ-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 114137291
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382308
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine
CID 112638883
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]benzonitrile
CID 115974523
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
N-(2,2-dimethylheptyl)-4-propoxypyrimidin-2-amine
CID 115975266
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 113244193
N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637415
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine (CID 106013343) is N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NCc2ccc(CC)s2)n1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine?
The InChIKey is XUCCTUGEFIMWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-9-18-13-7-8-15-14(17-13)16-10-12-6-5-11(4-2)19-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine?
N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 106013343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).