4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine

C12H17N5 — CID 80856704

IUPAC4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-n2cnc(C)c2C)n1
InChIInChI=1S/C12H17N5/c1-4-6-13-12-14-7-5-11(16-12)17-8-15-9(2)10(17)3/h5,7-8H,4,6H2,1-3H3,(H,13,14,16)
InChIKeyOHKHDPBQRBHRSF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds4

About 4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine

4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80856704) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80856704
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-n2cnc(C)c2C)n1
InChIInChI=1S/C12H17N5/c1-4-6-13-12-14-7-5-11(16-12)17-8-15-9(2)10(17)3/h5,7-8H,4,6H2,1-3H3,(H,13,14,16)
InChIKeyOHKHDPBQRBHRSF-UHFFFAOYSA-N
XLogP2.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine (CID 80856704) is 4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine is CCCNc1nccc(-n2cnc(C)c2C)n1.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is OHKHDPBQRBHRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-6-13-12-14-7-5-11(16-12)17-8-15-9(2)10(17)3/h5,7-8H,4,6H2,1-3H3,(H,13,14,16).
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine?
4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80856704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).