5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine

C12H14ClN3OS — CID 114001357

IUPAC5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Sc2ccoc2C)n1
InChIInChI=1S/C12H14ClN3OS/c1-3-5-14-12-15-7-9(13)11(16-12)18-10-4-6-17-8(10)2/h4,6-7H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyNYQPNWVCWSNEMS-UHFFFAOYSA-N
MW283.78 g/mol
LogP4.00
Rot. Bonds5

About 5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine

5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine (PubChem CID 114001357) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
PubChem CID114001357
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Sc2ccoc2C)n1
InChIInChI=1S/C12H14ClN3OS/c1-3-5-14-12-15-7-9(13)11(16-12)18-10-4-6-17-8(10)2/h4,6-7H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyNYQPNWVCWSNEMS-UHFFFAOYSA-N
XLogP4.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80884181
4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785153
5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886409
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
CID 80888876
4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785128
5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80883328
2-[5-chloro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethylacetamide
CID 114235213
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928329
5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 80893486
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989311

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine (CID 114001357) is 5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(Sc2ccoc2C)n1.
What is the InChIKey of 5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine?
The InChIKey is NYQPNWVCWSNEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-3-5-14-12-15-7-9(13)11(16-12)18-10-4-6-17-8(10)2/h4,6-7H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine?
5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine has a molecular weight of 283.78 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 114001357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).