morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone

C18H22N4O2 — CID 112851244

IUPACmorpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1cc(C(=O)N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c1-2-8-19-16-13-15(18(23)22-9-11-24-12-10-22)20-17(21-16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,19,20,21)
InChIKeyZQLWGJUOKCBFSJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.44
Rot. Bonds5

About morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone

morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone (PubChem CID 112851244) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
PubChem CID112851244
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namemorpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1cc(C(=O)N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c1-2-8-19-16-13-15(18(23)22-9-11-24-12-10-22)20-17(21-16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,19,20,21)
InChIKeyZQLWGJUOKCBFSJ-UHFFFAOYSA-N
XLogP2.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112852347
[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853478
[6-(butylamino)-2-phenylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 112852230
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853499
azepan-1-yl-[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112854359
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852227
azepan-1-yl-[6-(3-methoxypropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853312
[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 112853813
3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851301
N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853712
[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538795

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone (CID 112851244) is morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone is CCCNc1cc(C(=O)N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone?
The InChIKey is ZQLWGJUOKCBFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-8-19-16-13-15(18(23)22-9-11-24-12-10-22)20-17(21-16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,19,20,21).
What are the key properties of morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone?
morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 112851244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).