6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine

C14H22BrN3 — CID 114095094

IUPAC6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCC2(C)CCCCC2)n1
InChIInChI=1S/C14H22BrN3/c1-3-12-17-11(15)9-13(18-12)16-10-14(2)7-5-4-6-8-14/h9H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyHXIKJUUTEYRSED-UHFFFAOYSA-N
MW312.26 g/mol
LogP4.18
Rot. Bonds4

About 6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine

6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine (PubChem CID 114095094) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine
PubChem CID114095094
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCC2(C)CCCCC2)n1
InChIInChI=1S/C14H22BrN3/c1-3-12-17-11(15)9-13(18-12)16-10-14(2)7-5-4-6-8-14/h9H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyHXIKJUUTEYRSED-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
CID 126976268
6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907356
5-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]pyridin-2-amine
CID 114869282
6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66327746
1-[[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80941777
6-bromo-2-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 114156436
2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114126574
6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414820
6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 78952257
6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 107164897
4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149277
6-bromo-2-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 114186756

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine (CID 114095094) is 6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine is CCc1nc(Br)cc(NCC2(C)CCCCC2)n1.
What is the InChIKey of 6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine?
The InChIKey is HXIKJUUTEYRSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-3-12-17-11(15)9-13(18-12)16-10-14(2)7-5-4-6-8-14/h9H,3-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine?
6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine has a molecular weight of 312.26 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114095094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).