6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine

C14H18ClN3S — CID 80945762

IUPAC6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCc2sccc2CC)n1
InChIInChI=1S/C14H18ClN3S/c1-3-5-13-17-12(15)8-14(18-13)16-9-11-10(4-2)6-7-19-11/h6-8H,3-5,9H2,1-2H3,(H,16,17,18)
InChIKeyNLHHQODHHSLEFG-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.32
Rot. Bonds6

About 6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine

6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 80945762) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
PubChem CID80945762
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCc2sccc2CC)n1
InChIInChI=1S/C14H18ClN3S/c1-3-5-13-17-12(15)8-14(18-13)16-9-11-10(4-2)6-7-19-11/h6-8H,3-5,9H2,1-2H3,(H,16,17,18)
InChIKeyNLHHQODHHSLEFG-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 83076437
6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 82748226
4-N-[(3-ethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80855130
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine
CID 80939822
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine
CID 80939443
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80926174
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976394
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775903
6-N-ethyl-4-N-[(3-ethylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80839995
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80926173
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine (CID 80945762) is 6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NCc2sccc2CC)n1.
What is the InChIKey of 6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is NLHHQODHHSLEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-3-5-13-17-12(15)8-14(18-13)16-9-11-10(4-2)6-7-19-11/h6-8H,3-5,9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine?
6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80945762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).