5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine

C13H16BrN5 — CID 66295944

IUPAC5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cncn2C2CC2)nc(N)c1Br
InChIInChI=1S/C13H16BrN5/c1-2-3-9-11(14)12(15)18-13(17-9)10-6-16-7-19(10)8-4-5-8/h6-8H,2-5H2,1H3,(H2,15,17,18)
InChIKeyVVVWPAPXOUKVNC-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.97
Rot. Bonds4

About 5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine

5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine (PubChem CID 66295944) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine
PubChem CID66295944
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cncn2C2CC2)nc(N)c1Br
InChIInChI=1S/C13H16BrN5/c1-2-3-9-11(14)12(15)18-13(17-9)10-6-16-7-19(10)8-4-5-8/h6-8H,2-5H2,1H3,(H2,15,17,18)
InChIKeyVVVWPAPXOUKVNC-UHFFFAOYSA-N
XLogP2.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine (CID 66295944) is 5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2cncn2C2CC2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine?
The InChIKey is VVVWPAPXOUKVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-2-3-9-11(14)12(15)18-13(17-9)10-6-16-7-19(10)8-4-5-8/h6-8H,2-5H2,1H3,(H2,15,17,18).
What are the key properties of 5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine?
5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66295944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).