4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine

C16H14ClN3S — CID 141420637

IUPAC4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1nccc(Cl)n1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C16H14ClN3S/c1-11(19-16-18-10-9-15(17)20-16)13-7-8-14(21-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)/t11-/m0/s1
InChIKeyGXPRJKWSMPYBOZ-NSHDSACASA-N
MW315.83 g/mol
LogP5.03
Rot. Bonds4

About 4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine

4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 141420637) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine
PubChem CID141420637
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC Name4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1nccc(Cl)n1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C16H14ClN3S/c1-11(19-16-18-10-9-15(17)20-16)13-7-8-14(21-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)/t11-/m0/s1
InChIKeyGXPRJKWSMPYBOZ-NSHDSACASA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.83
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
N-methyl-1-(5-phenylthiophen-2-yl)ethanamine
CID 43288011
6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
CID 164824073
4-(benzimidazol-1-yl)-N-[1-(5-nitrothiophen-2-yl)ethyl]pyrimidin-2-amine
CID 18375929
4-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 62958907
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
4-N-[(2-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890674
1-(5-phenylthiophen-2-yl)ethane-1,2-diamine
CID 170894587
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
(4S)-3-[2-[1-(2-phenyl-1,3-thiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347633
4-[6-chloro-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 12070269

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine (CID 141420637) is 4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine is C[C@H](Nc1nccc(Cl)n1)c1ccc(-c2ccccc2)s1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is GXPRJKWSMPYBOZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H14ClN3S/c1-11(19-16-18-10-9-15(17)20-16)13-7-8-14(21-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)/t11-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine?
4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 315.83 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 141420637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).