5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine

C12H14ClN3OS — CID 80757935

IUPAC5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NC(C)Cc2cccs2)n1
InChIInChI=1S/C12H14ClN3OS/c1-8(6-9-4-3-5-18-9)15-11-10(13)7-14-12(16-11)17-2/h3-5,7-8H,6H2,1-2H3,(H,14,15,16)
InChIKeyPWUTULYFVMIQRJ-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.24
Rot. Bonds5

About 5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine

5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 80757935) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID80757935
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NC(C)Cc2cccs2)n1
InChIInChI=1S/C12H14ClN3OS/c1-8(6-9-4-3-5-18-9)15-11-10(13)7-14-12(16-11)17-2/h3-5,7-8H,6H2,1-2H3,(H,14,15,16)
InChIKeyPWUTULYFVMIQRJ-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897
4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63291908
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol
CID 133400269
6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 63730032
5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine
CID 135109642
5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 96542363
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 80758540
N-[1-(4-bromophenyl)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80758542
3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 107062606
5-chloro-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxypyrimidin-4-amine
CID 106181795
6-ethoxy-5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 66327692
5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80813455

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine (CID 80757935) is 5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine is COc1ncc(Cl)c(NC(C)Cc2cccs2)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is PWUTULYFVMIQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-8(6-9-4-3-5-18-9)15-11-10(13)7-14-12(16-11)17-2/h3-5,7-8H,6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 283.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80757935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).