N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine

C12H10N4O — CID 945758

IUPACN-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1ccnc(Nc2nc3ccccc3o2)n1
InChIInChI=1S/C12H10N4O/c1-8-6-7-13-11(14-8)16-12-15-9-4-2-3-5-10(9)17-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyFPKNCRLNDYNPDD-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.67
Rot. Bonds2

About N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine

N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 945758) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
PubChem CID945758
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1ccnc(Nc2nc3ccccc3o2)n1
InChIInChI=1S/C12H10N4O/c1-8-6-7-13-11(14-8)16-12-15-9-4-2-3-5-10(9)17-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyFPKNCRLNDYNPDD-UHFFFAOYSA-N
XLogP2.67
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-methyl-1,3-benzoxazol-2-amine
CID 590605
VU0366058
CID 57328392
N-(4,6-Dimethyl-2-pyrimidinyl)-2-benzoxazolamine
CID 854816
N-[5-(3-methoxypropyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-1,3-benzoxazol-2-amine
CID 2003439
N-(2-fluorophenyl)-1,3-benzoxazol-2-amine
CID 1505210
N-Benzooxazol-2-yl-N'-propionyl-guanidine
CID 15997479
2-(1,3-Benzoxazol-2-ylamino)-4-phenyl-5-pyrimidinecarbonitrile
CID 757689
2-(1,3-benzoxazol-2-ylamino)-6-(methoxymethyl)pyrimidin-4(1H)-one
CID 135426496
2-(Morpholin-4-yl)-1,3-benzoxazole
CID 589769

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine (CID 945758) is N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine is Cc1ccnc(Nc2nc3ccccc3o2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is FPKNCRLNDYNPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-6-7-13-11(14-8)16-12-15-9-4-2-3-5-10(9)17-12/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 226.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 945758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).