4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine

C18H21BrN4 — CID 89135755

IUPAC4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
SMILESC=C1CC(Nc2nccc(-c3ccc(Br)cc3)n2)CC(C)(C)N1
InChIInChI=1S/C18H21BrN4/c1-12-10-15(11-18(2,3)23-12)21-17-20-9-8-16(22-17)13-4-6-14(19)7-5-13/h4-9,15,23H,1,10-11H2,2-3H3,(H,20,21,22)
InChIKeyKPHSFDCBXHOYKA-UHFFFAOYSA-N
MW373.30 g/mol
LogP4.36
Rot. Bonds3

About 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine

4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine (PubChem CID 89135755) has the molecular formula C18H21BrN4 and a molecular weight of 373.30 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
PubChem CID89135755
Molecular FormulaC18H21BrN4
Molecular Weight373.30 g/mol
Exact Mass372.09
IUPAC Name4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
SMILESC=C1CC(Nc2nccc(-c3ccc(Br)cc3)n2)CC(C)(C)N1
InChIInChI=1S/C18H21BrN4/c1-12-10-15(11-18(2,3)23-12)21-17-20-9-8-16(22-17)13-4-6-14(19)7-5-13/h4-9,15,23H,1,10-11H2,2-3H3,(H,20,21,22)
InChIKeyKPHSFDCBXHOYKA-UHFFFAOYSA-N
XLogP4.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
CID 89135742
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(5-piperazin-1-ylthiophen-2-yl)pyrimidin-2-amine
CID 89135674
4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135670
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-(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
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
3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol
CID 136582865
[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
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
4-[5-[4-(2-aminoethyl)phenyl]thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 68655689
N-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 67450594

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine (CID 89135755) is 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine is C=C1CC(Nc2nccc(-c3ccc(Br)cc3)n2)CC(C)(C)N1.
What is the InChIKey of 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is KPHSFDCBXHOYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4/c1-12-10-15(11-18(2,3)23-12)21-17-20-9-8-16(22-17)13-4-6-14(19)7-5-13/h4-9,15,23H,1,10-11H2,2-3H3,(H,20,21,22).
What are the key properties of 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine?
4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 373.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 89135755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).