4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine

C20H29N5S — CID 89135670

IUPAC4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
SMILESC=C1CC(Nc2nccc(-c3ccc(CC(C)(C)N)s3)n2)CC(C)(C)N1
InChIInChI=1S/C20H29N5S/c1-13-10-14(11-20(4,5)25-13)23-18-22-9-8-16(24-18)17-7-6-15(26-17)12-19(2,3)21/h6-9,14,25H,1,10-12,21H2,2-5H3,(H,22,23,24)
InChIKeySLHUIJGJURFFBC-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.94
Rot. Bonds5

About 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine

4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine (PubChem CID 89135670) has the molecular formula C20H29N5S and a molecular weight of 371.55 g/mol. Its IUPAC name is 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
PubChem CID89135670
Molecular FormulaC20H29N5S
Molecular Weight371.55 g/mol
Exact Mass371.21
IUPAC Name4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
SMILESC=C1CC(Nc2nccc(-c3ccc(CC(C)(C)N)s3)n2)CC(C)(C)N1
InChIInChI=1S/C20H29N5S/c1-13-10-14(11-20(4,5)25-13)23-18-22-9-8-16(24-18)17-7-6-15(26-17)12-19(2,3)21/h6-9,14,25H,1,10-12,21H2,2-5H3,(H,22,23,24)
InChIKeySLHUIJGJURFFBC-UHFFFAOYSA-N
XLogP3.94
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine with MolForge

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Related Compounds

[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
CID 89135742
5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide
CID 89135743
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(5-piperazin-1-ylthiophen-2-yl)pyrimidin-2-amine
CID 89135674
4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135755
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
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-propoxythiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11462979
[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-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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine (CID 89135670) is 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine is C=C1CC(Nc2nccc(-c3ccc(CC(C)(C)N)s3)n2)CC(C)(C)N1.
What is the InChIKey of 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is SLHUIJGJURFFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5S/c1-13-10-14(11-20(4,5)25-13)23-18-22-9-8-16(24-18)17-7-6-15(26-17)12-19(2,3)21/h6-9,14,25H,1,10-12,21H2,2-5H3,(H,22,23,24).
What are the key properties of 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine?
4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 371.55 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 89135670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).