4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine

C14H16N6 — CID 22493415

IUPAC4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccccc2NCC2=NCCN2)n1
InChIInChI=1S/C14H16N6/c15-14-18-6-5-12(20-14)10-3-1-2-4-11(10)19-9-13-16-7-8-17-13/h1-6,19H,7-9H2,(H,16,17)(H2,15,18,20)
InChIKeyOAHLECZZVVVHND-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.14
Rot. Bonds4

About 4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine

4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine (PubChem CID 22493415) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine
PubChem CID22493415
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccccc2NCC2=NCCN2)n1
InChIInChI=1S/C14H16N6/c15-14-18-6-5-12(20-14)10-3-1-2-4-11(10)19-9-13-16-7-8-17-13/h1-6,19H,7-9H2,(H,16,17)(H2,15,18,20)
InChIKeyOAHLECZZVVVHND-UHFFFAOYSA-N
XLogP1.14
TPSA88.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine (CID 22493415) is 4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine is Nc1nccc(-c2ccccc2NCC2=NCCN2)n1.
What is the InChIKey of 4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine?
The InChIKey is OAHLECZZVVVHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c15-14-18-6-5-12(20-14)10-3-1-2-4-11(10)19-9-13-16-7-8-17-13/h1-6,19H,7-9H2,(H,16,17)(H2,15,18,20).
What are the key properties of 4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine?
4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 22493415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).