2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C14H21BrN4 — CID 115145188

IUPAC2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(c1nc(Br)nc2c1CNCC2)C1CCCCC1
InChIInChI=1S/C14H21BrN4/c1-19(10-5-3-2-4-6-10)13-11-9-16-8-7-12(11)17-14(15)18-13/h10,16H,2-9H2,1H3
InChIKeyFUWRBAWYYGWNGJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.65
Rot. Bonds2

About 2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115145188) has the molecular formula C14H21BrN4 and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115145188
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(c1nc(Br)nc2c1CNCC2)C1CCCCC1
InChIInChI=1S/C14H21BrN4/c1-19(10-5-3-2-4-6-10)13-11-9-16-8-7-12(11)17-14(15)18-13/h10,16H,2-9H2,1H3
InChIKeyFUWRBAWYYGWNGJ-UHFFFAOYSA-N
XLogP2.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145279
2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145210
2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145181
2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145217
N-cyclopentyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223559
N-methyl-N-(oxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 82739319
N,2-dimethyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145261
N,2-dimethyl-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145265
4-N-tert-butyl-4-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145035
N,2-dimethyl-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145301
4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145043
N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145270

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115145188) is 2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CN(c1nc(Br)nc2c1CNCC2)C1CCCCC1.
What is the InChIKey of 2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FUWRBAWYYGWNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4/c1-19(10-5-3-2-4-6-10)13-11-9-16-8-7-12(11)17-14(15)18-13/h10,16H,2-9H2,1H3.
What are the key properties of 2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 325.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115145188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).