(4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol

C24H29ClN4OS — CID 11487913

IUPAC(4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol
SMILESCC1(C)CC(Nc2nccc(-c3ccc(C(O)c4ccc(Cl)cc4)s3)n2)CC(C)(C)N1
InChIInChI=1S/C24H29ClN4OS/c1-23(2)13-17(14-24(3,4)29-23)27-22-26-12-11-18(28-22)19-9-10-20(31-19)21(30)15-5-7-16(25)8-6-15/h5-12,17,21,29-30H,13-14H2,1-4H3,(H,26,27,28)
InChIKeyWFWVPPFAVQNNDB-UHFFFAOYSA-N
MW457.04 g/mol
LogP5.66
Rot. Bonds5

About (4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol

(4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol (PubChem CID 11487913) has the molecular formula C24H29ClN4OS and a molecular weight of 457.04 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol
PubChem CID11487913
Molecular FormulaC24H29ClN4OS
Molecular Weight457.04 g/mol
Exact Mass456.18
IUPAC Name(4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol
SMILESCC1(C)CC(Nc2nccc(-c3ccc(C(O)c4ccc(Cl)cc4)s3)n2)CC(C)(C)N1
InChIInChI=1S/C24H29ClN4OS/c1-23(2)13-17(14-24(3,4)29-23)27-22-26-12-11-18(28-22)19-9-10-20(31-19)21(30)15-5-7-16(25)8-6-15/h5-12,17,21,29-30H,13-14H2,1-4H3,(H,26,27,28)
InChIKeyWFWVPPFAVQNNDB-UHFFFAOYSA-N
XLogP5.66
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.04
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-propoxythiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11462979
4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11475120
4-(5-phenylmethoxythiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11464366
4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 141103158
4-[5-[4-(2-aminoethyl)phenyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 68655689
4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11486814
ethyl 4-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]piperazine-1-carboxylate
CID 11374869
5-bromo-4-(5-chlorothiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11418987
2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 15066137
[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
CID 89135742
4-N-[(4-methylphenyl)methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 155547127
4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135670

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol (CID 11487913) is (4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol is CC1(C)CC(Nc2nccc(-c3ccc(C(O)c4ccc(Cl)cc4)s3)n2)CC(C)(C)N1.
What is the InChIKey of (4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol?
The InChIKey is WFWVPPFAVQNNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4OS/c1-23(2)13-17(14-24(3,4)29-23)27-22-26-12-11-18(28-22)19-9-10-20(31-19)21(30)15-5-7-16(25)8-6-15/h5-12,17,21,29-30H,13-14H2,1-4H3,(H,26,27,28).
What are the key properties of (4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol?
(4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol has a molecular weight of 457.04 g/mol, XLogP of 5.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 11487913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).