6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine

C16H23BrN4 — CID 141182786

IUPAC6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCN1CC(Br)=Cc2c(C)nc(NC3CCCCC3)nc21
InChIInChI=1S/C16H23BrN4/c1-3-21-10-12(17)9-14-11(2)18-16(20-15(14)21)19-13-7-5-4-6-8-13/h9,13H,3-8,10H2,1-2H3,(H,18,19,20)
InChIKeyXRFORMHGAMZEQQ-UHFFFAOYSA-N
MW351.29 g/mol
LogP4.11
Rot. Bonds3

About 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine

6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141182786) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID141182786
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC Name6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCN1CC(Br)=Cc2c(C)nc(NC3CCCCC3)nc21
InChIInChI=1S/C16H23BrN4/c1-3-21-10-12(17)9-14-11(2)18-16(20-15(14)21)19-13-7-5-4-6-8-13/h9,13H,3-8,10H2,1-2H3,(H,18,19,20)
InChIKeyXRFORMHGAMZEQQ-UHFFFAOYSA-N
XLogP4.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidine-2,4-diamine
CID 23583645
6-Bromo-2-(cyclohexylamino)-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16123580
6-bromo-8-cyclohexyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 57930760
8-cyclohexyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 57930767
N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 67389320
4-N-pentan-3-yl-7H-cyclopenta[d]pyrimidine-2,4-diamine
CID 68257779
2-(4-bromocyclohexa-1,3-dien-1-yl)-6-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 68347870
3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol
CID 69009238
6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69009692
6-bromo-N-ethyl-8-(3-methoxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69010230
6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69010542
6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69013805

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 141182786) is 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine is CCN1CC(Br)=Cc2c(C)nc(NC3CCCCC3)nc21.
What is the InChIKey of 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is XRFORMHGAMZEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-3-21-10-12(17)9-14-11(2)18-16(20-15(14)21)19-13-7-5-4-6-8-13/h9,13H,3-8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 351.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141182786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).