4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

C22H35N5S — CID 11475120

IUPAC4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC(C)NCCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1
InChIInChI=1S/C22H35N5S/c1-15(2)23-11-9-17-7-8-19(28-17)18-10-12-24-20(26-18)25-16-13-21(3,4)27-22(5,6)14-16/h7-8,10,12,15-16,23,27H,9,11,13-14H2,1-6H3,(H,24,25,26)
InChIKeyVNHYBTZFKHADQJ-UHFFFAOYSA-N
MW401.62 g/mol
LogP4.47
Rot. Bonds7

About 4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 11475120) has the molecular formula C22H35N5S and a molecular weight of 401.62 g/mol. Its IUPAC name is 4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID11475120
Molecular FormulaC22H35N5S
Molecular Weight401.62 g/mol
Exact Mass401.26
IUPAC Name4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC(C)NCCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1
InChIInChI=1S/C22H35N5S/c1-15(2)23-11-9-17-7-8-19(28-17)18-10-12-24-20(26-18)25-16-13-21(3,4)27-22(5,6)14-16/h7-8,10,12,15-16,23,27H,9,11,13-14H2,1-6H3,(H,24,25,26)
InChIKeyVNHYBTZFKHADQJ-UHFFFAOYSA-N
XLogP4.47
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 54.47
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-(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-phenylmethoxythiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11464366
(4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol
CID 11487913
4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11486814
4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135670
ethyl 4-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]piperazine-1-carboxylate
CID 11374869
4-N-[(4-methylphenyl)methyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 155547127
2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 15066137
4-[5-methyl-4-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]butan-2-one
CID 142949543
[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
CID 89135742

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (CID 11475120) is 4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is CC(C)NCCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1.
What is the InChIKey of 4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is VNHYBTZFKHADQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5S/c1-15(2)23-11-9-17-7-8-19(28-17)18-10-12-24-20(26-18)25-16-13-21(3,4)27-22(5,6)14-16/h7-8,10,12,15-16,23,27H,9,11,13-14H2,1-6H3,(H,24,25,26).
What are the key properties of 4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 401.62 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(propan-2-ylamino)ethyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 11475120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).