6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine

C15H22BrN3 — CID 114137347

IUPAC6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
SMILESBrc1cc(NCCCC2CCCC2)nc(C2CC2)n1
InChIInChI=1S/C15H22BrN3/c16-13-10-14(19-15(18-13)12-7-8-12)17-9-3-6-11-4-1-2-5-11/h10-12H,1-9H2,(H,17,18,19)
InChIKeyZCCQTRNHACJUME-UHFFFAOYSA-N
MW324.27 g/mol
LogP4.50
Rot. Bonds6

About 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine

6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine (PubChem CID 114137347) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
PubChem CID114137347
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
SMILESBrc1cc(NCCCC2CCCC2)nc(C2CC2)n1
InChIInChI=1S/C15H22BrN3/c16-13-10-14(19-15(18-13)12-7-8-12)17-9-3-6-11-4-1-2-5-11/h10-12H,1-9H2,(H,17,18,19)
InChIKeyZCCQTRNHACJUME-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106137350
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 114133171
6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 106013954
4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106015138
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262382
4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol
CID 106196686
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 106012981
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine (CID 114137347) is 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine is Brc1cc(NCCCC2CCCC2)nc(C2CC2)n1.
What is the InChIKey of 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine?
The InChIKey is ZCCQTRNHACJUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c16-13-10-14(19-15(18-13)12-7-8-12)17-9-3-6-11-4-1-2-5-11/h10-12H,1-9H2,(H,17,18,19).
What are the key properties of 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine?
6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine has a molecular weight of 324.27 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 114137347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).