4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine

C14H14ClN3S — CID 178188492

IUPAC4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NC(c2ccccc2Cl)CC(c2cccs2)N1
InChIInChI=1S/C14H14ClN3S/c15-10-5-2-1-4-9(10)11-8-12(18-14(16)17-11)13-6-3-7-19-13/h1-7,11-12H,8H2,(H3,16,17,18)
InChIKeyDLRGFMUTVQZBGC-UHFFFAOYSA-N
MW291.81 g/mol
LogP3.49
Rot. Bonds2

About 4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine

4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 178188492) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID178188492
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NC(c2ccccc2Cl)CC(c2cccs2)N1
InChIInChI=1S/C14H14ClN3S/c15-10-5-2-1-4-9(10)11-8-12(18-14(16)17-11)13-6-3-7-19-13/h1-7,11-12H,8H2,(H3,16,17,18)
InChIKeyDLRGFMUTVQZBGC-UHFFFAOYSA-N
XLogP3.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,7S)-7-(2-chlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136664117
(5R,7R)-7-(2,3-dichlorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135767586
4-amino-6-thiophen-2-ylpiperidin-2-one
CID 83818747
(2S)-2-thiophen-2-ylaziridine
CID 55263035
6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3618708
6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202152
cis-(1R,2R)-2-(2-chlorophenyl)cyclopropan-1-amine
CID 39236190
cis-(1R,2S)-2-thiophen-2-ylcyclopropan-1-amine
CID 28901769
2-methyl-6-thiophen-2-ylpiperidin-3-amine
CID 165483665
7-(2-chlorophenyl)bicyclo[2.2.1]heptane
CID 10262419
7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2968590
(5R,7S)-7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 758669

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine (CID 178188492) is 4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NC(c2ccccc2Cl)CC(c2cccs2)N1.
What is the InChIKey of 4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is DLRGFMUTVQZBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c15-10-5-2-1-4-9(10)11-8-12(18-14(16)17-11)13-6-3-7-19-13/h1-7,11-12H,8H2,(H3,16,17,18).
What are the key properties of 4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 291.81 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 178188492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).