[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol

C23H26N4OS — CID 89135742

IUPAC[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
SMILESC=C1CC(Nc2nccc(-c3ccc(-c4ccc(CO)cc4)s3)n2)CC(C)(C)N1
InChIInChI=1S/C23H26N4OS/c1-15-12-18(13-23(2,3)27-15)25-22-24-11-10-19(26-22)21-9-8-20(29-21)17-6-4-16(14-28)5-7-17/h4-11,18,27-28H,1,12-14H2,2-3H3,(H,24,25,26)
InChIKeyBMJNURGEXJPDJN-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.82
Rot. Bonds5

About [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol

[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol (PubChem CID 89135742) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
PubChem CID89135742
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
SMILESC=C1CC(Nc2nccc(-c3ccc(-c4ccc(CO)cc4)s3)n2)CC(C)(C)N1
InChIInChI=1S/C23H26N4OS/c1-15-12-18(13-23(2,3)27-15)25-22-24-11-10-19(26-22)21-9-8-20(29-21)17-6-4-16(14-28)5-7-17/h4-11,18,27-28H,1,12-14H2,2-3H3,(H,24,25,26)
InChIKeyBMJNURGEXJPDJN-UHFFFAOYSA-N
XLogP4.82
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol with MolForge

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Related Compounds

4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135670
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(5-piperazin-1-ylthiophen-2-yl)pyrimidin-2-amine
CID 89135674
5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide
CID 89135743
4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135755
4-[5-[4-(2-aminoethyl)phenyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 68655689
1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 89135741
[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 89135780
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine
CID 89135693
3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile
CID 89135798
4-(5-propoxythiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11462979
4-(5-phenylmethoxythiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11464366
ethyl 4-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]piperazine-1-carboxylate
CID 11374869

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol?
The IUPAC name of [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol (CID 89135742) is [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol?
The canonical SMILES for [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol is C=C1CC(Nc2nccc(-c3ccc(-c4ccc(CO)cc4)s3)n2)CC(C)(C)N1.
What is the InChIKey of [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol?
The InChIKey is BMJNURGEXJPDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-15-12-18(13-23(2,3)27-15)25-22-24-11-10-19(26-22)21-9-8-20(29-21)17-6-4-16(14-28)5-7-17/h4-11,18,27-28H,1,12-14H2,2-3H3,(H,24,25,26).
What are the key properties of [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol?
[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol has a molecular weight of 406.56 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol is sourced from PubChem (CID 89135742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).