4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine

C15H14N4O — CID 39749767

IUPAC4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc3oc(C4CC4)nc3c2)nc(N)n1
InChIInChI=1S/C15H14N4O/c1-8-6-11(19-15(16)17-8)10-4-5-13-12(7-10)18-14(20-13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,16,17,19)
InChIKeyHHTBNBBFDAZQBB-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.05
Rot. Bonds2

About 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine

4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine (PubChem CID 39749767) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine
PubChem CID39749767
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc3oc(C4CC4)nc3c2)nc(N)n1
InChIInChI=1S/C15H14N4O/c1-8-6-11(19-15(16)17-8)10-4-5-13-12(7-10)18-14(20-13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,16,17,19)
InChIKeyHHTBNBBFDAZQBB-UHFFFAOYSA-N
XLogP3.05
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine (CID 39749767) is 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine is Cc1cc(-c2ccc3oc(C4CC4)nc3c2)nc(N)n1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine?
The InChIKey is HHTBNBBFDAZQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-8-6-11(19-15(16)17-8)10-4-5-13-12(7-10)18-14(20-13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,16,17,19).
What are the key properties of 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine?
4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine has a molecular weight of 266.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 39749767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).