6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine

C13H20BrN3 — CID 107414820

IUPAC6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCC2CCC(C)C2)n1
InChIInChI=1S/C13H20BrN3/c1-3-12-16-11(14)7-13(17-12)15-8-10-5-4-9(2)6-10/h7,9-10H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyZTHUFZXZBZSZCI-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.65
Rot. Bonds4

About 6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine

6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine (PubChem CID 107414820) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
PubChem CID107414820
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCC2CCC(C)C2)n1
InChIInChI=1S/C13H20BrN3/c1-3-12-16-11(14)7-13(17-12)15-8-10-5-4-9(2)6-10/h7,9-10H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyZTHUFZXZBZSZCI-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 104963516
4-N-[(3-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107415976
2-cyclopropyl-6-N-ethyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107415826
6-N-ethyl-2-N-[(3-methylcyclopentyl)methyl]pyrazine-2,6-diamine
CID 107415935
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934958
6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
CID 126976268
6-hydrazinyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 107416016
6-chloro-2-ethyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414780
6-N-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950301
5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine
CID 107414033

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine (CID 107414820) is 6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine is CCc1nc(Br)cc(NCC2CCC(C)C2)n1.
What is the InChIKey of 6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The InChIKey is ZTHUFZXZBZSZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-3-12-16-11(14)7-13(17-12)15-8-10-5-4-9(2)6-10/h7,9-10H,3-6,8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine has a molecular weight of 298.23 g/mol, XLogP of 3.65, 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-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 107414820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).