4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

C22H34N6S — CID 11486814

IUPAC4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC1CN(c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)CCN1
InChIInChI=1S/C22H34N6S/c1-15-14-28(11-10-23-15)19-7-6-18(29-19)17-8-9-24-20(26-17)25-16-12-21(2,3)27-22(4,5)13-16/h6-9,15-16,23,27H,10-14H2,1-5H3,(H,24,25,26)
InChIKeyFSLSIVKOTQYVOR-UHFFFAOYSA-N
MW414.62 g/mol
LogP3.72
Rot. Bonds4

About 4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 11486814) has the molecular formula C22H34N6S and a molecular weight of 414.62 g/mol. Its IUPAC name is 4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID11486814
Molecular FormulaC22H34N6S
Molecular Weight414.62 g/mol
Exact Mass414.26
IUPAC Name4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC1CN(c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)CCN1
InChIInChI=1S/C22H34N6S/c1-15-14-28(11-10-23-15)19-7-6-18(29-19)17-8-9-24-20(26-17)25-16-12-21(2,3)27-22(4,5)13-16/h6-9,15-16,23,27H,10-14H2,1-5H3,(H,24,25,26)
InChIKeyFSLSIVKOTQYVOR-UHFFFAOYSA-N
XLogP3.72
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]piperazine-1-carboxylate
CID 11374869
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(5-piperazin-1-ylthiophen-2-yl)pyrimidin-2-amine
CID 89135674
4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 141103158
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-[4-(2-aminoethyl)phenyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 68655689
(4-chlorophenyl)-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]methanol
CID 11487913
2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 15066137
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (CID 11486814) is 4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is CC1CN(c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)CCN1.
What is the InChIKey of 4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is FSLSIVKOTQYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6S/c1-15-14-28(11-10-23-15)19-7-6-18(29-19)17-8-9-24-20(26-17)25-16-12-21(2,3)27-22(4,5)13-16/h6-9,15-16,23,27H,10-14H2,1-5H3,(H,24,25,26).
What are the key properties of 4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 414.62 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 11486814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).