6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine

C11H14ClN5 — CID 106195237

IUPAC6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCc1ncc[nH]1
InChIInChI=1S/C11H14ClN5/c1-7(2)9-10(12)16-6-17-11(9)15-5-8-13-3-4-14-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyOSTJRUMIYFBCEW-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.59
Rot. Bonds4

About 6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 106195237) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID106195237
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCc1ncc[nH]1
InChIInChI=1S/C11H14ClN5/c1-7(2)9-10(12)16-6-17-11(9)15-5-8-13-3-4-14-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyOSTJRUMIYFBCEW-UHFFFAOYSA-N
XLogP2.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine (CID 106195237) is 6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1NCc1ncc[nH]1.
What is the InChIKey of 6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is OSTJRUMIYFBCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7(2)9-10(12)16-6-17-11(9)15-5-8-13-3-4-14-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,15,16,17).
What are the key properties of 6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106195237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).