5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one

C10H10ClN3OS — CID 136975243

IUPAC5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2nc[nH]c(=O)c2Cl)s1
InChIInChI=1S/C10H10ClN3OS/c1-6-2-3-7(16-6)4-12-9-8(11)10(15)14-5-13-9/h2-3,5H,4H2,1H3,(H2,12,13,14,15)
InChIKeySFNHWEQEQKQSCY-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.41
Rot. Bonds3

About 5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136975243) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136975243
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2nc[nH]c(=O)c2Cl)s1
InChIInChI=1S/C10H10ClN3OS/c1-6-2-3-7(16-6)4-12-9-8(11)10(15)14-5-13-9/h2-3,5H,4H2,1H3,(H2,12,13,14,15)
InChIKeySFNHWEQEQKQSCY-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-Ethylthiophen-2-yl)methyl]-4-(methylamino)-1,3,5-triazin-2-one
CID 57308007
2-Amino-6-[(2-thienylmethyl)amino]-4-pyrimidinol
CID 136025221
5-Chloro-6-ethyl-3-(1-thiophen-2-ylethyl)pyrimidin-4-one
CID 139659153
2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one
CID 160102498
3-[2-[(5-Methylthiophen-2-yl)methylamino]ethyl]pyrimidin-4-one
CID 63795434
5-Chloro-1-[(5-ethylthiophen-2-yl)methyl]pyrimidine-2,4-dione
CID 66425574
6-Chloro-3-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-one
CID 114581677
6-Chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
CID 114582104
6-Chloro-3-(thiophen-2-ylmethyl)pyrimidin-4-one
CID 114582425
5-Amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
CID 114582544
5,6-Dichloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
CID 114582972
5,6-Dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114583003

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136975243) is 5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one is Cc1ccc(CNc2nc[nH]c(=O)c2Cl)s1.
What is the InChIKey of 5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is SFNHWEQEQKQSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-6-2-3-7(16-6)4-12-9-8(11)10(15)14-5-13-9/h2-3,5H,4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 255.73 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).