3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine

C7H11N5 — CID 70552143

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine
SMILESNC1C=CN=CN1C1=NCCN1
InChIInChI=1S/C7H11N5/c8-6-1-2-9-5-12(6)7-10-3-4-11-7/h1-2,5-6H,3-4,8H2,(H,10,11)
InChIKeyWGFBUQZOQINPPY-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.91
Rot. Bonds

About 3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine

3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine (PubChem CID 70552143) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine
PubChem CID70552143
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine
SMILESNC1C=CN=CN1C1=NCCN1
InChIInChI=1S/C7H11N5/c8-6-1-2-9-5-12(6)7-10-3-4-11-7/h1-2,5-6H,3-4,8H2,(H,10,11)
InChIKeyWGFBUQZOQINPPY-UHFFFAOYSA-N
XLogP-0.91
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine (CID 70552143) is 3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine is NC1C=CN=CN1C1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine?
The InChIKey is WGFBUQZOQINPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c8-6-1-2-9-5-12(6)7-10-3-4-11-7/h1-2,5-6H,3-4,8H2,(H,10,11).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine?
3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine has a molecular weight of 165.20 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-4H-pyrimidin-4-amine is sourced from PubChem (CID 70552143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).