1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one

C14H15N3O2 — CID 142888154

IUPAC1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one
SMILESCc1ccnc(NCC(=O)COc2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-11-7-8-15-14(17-11)16-9-12(18)10-19-13-5-3-2-4-6-13/h2-8H,9-10H2,1H3,(H,15,16,17)
InChIKeyRPOPGUZCANXCKY-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.85
Rot. Bonds6

About 1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one

1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one (PubChem CID 142888154) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one.

Molecular Properties

Compound Name1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one
PubChem CID142888154
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one
SMILESCc1ccnc(NCC(=O)COc2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-11-7-8-15-14(17-11)16-9-12(18)10-19-13-5-3-2-4-6-13/h2-8H,9-10H2,1H3,(H,15,16,17)
InChIKeyRPOPGUZCANXCKY-UHFFFAOYSA-N
XLogP1.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one?
The IUPAC name of 1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one (CID 142888154) is 1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one.
What is the SMILES notation for 1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one?
The canonical SMILES for 1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one is Cc1ccnc(NCC(=O)COc2ccccc2)n1.
What is the InChIKey of 1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one?
The InChIKey is RPOPGUZCANXCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-11-7-8-15-14(17-11)16-9-12(18)10-19-13-5-3-2-4-6-13/h2-8H,9-10H2,1H3,(H,15,16,17).
What are the key properties of 1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one?
1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyrimidin-2-yl)amino]-3-phenoxypropan-2-one is sourced from PubChem (CID 142888154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).