N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine

C11H15N5 — CID 64531496

IUPACN-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2ncc[nH]2)ncn1
InChIInChI=1S/C11H15N5/c1-8(2)9-5-10(16-7-15-9)14-6-11-12-3-4-13-11/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyDRUMVQATQWKGOJ-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.94
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine

N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 64531496) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID64531496
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2ncc[nH]2)ncn1
InChIInChI=1S/C11H15N5/c1-8(2)9-5-10(16-7-15-9)14-6-11-12-3-4-13-11/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyDRUMVQATQWKGOJ-UHFFFAOYSA-N
XLogP1.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (CID 64531496) is N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCc2ncc[nH]2)ncn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is DRUMVQATQWKGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8(2)9-5-10(16-7-15-9)14-6-11-12-3-4-13-11/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 217.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 64531496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).