(4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone

C12H18N4O3 — CID 119577834

IUPAC(4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCOc1ncnc(OC)c1C(=O)N1CCNC(C)C1
InChIInChI=1S/C12H18N4O3/c1-8-6-16(5-4-13-8)12(17)9-10(18-2)14-7-15-11(9)19-3/h7-8,13H,4-6H2,1-3H3
InChIKeyMOHYVBRMNVKECE-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.07
Rot. Bonds3

About (4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone

(4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 119577834) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone
PubChem CID119577834
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCOc1ncnc(OC)c1C(=O)N1CCNC(C)C1
InChIInChI=1S/C12H18N4O3/c1-8-6-16(5-4-13-8)12(17)9-10(18-2)14-7-15-11(9)19-3/h7-8,13H,4-6H2,1-3H3
InChIKeyMOHYVBRMNVKECE-UHFFFAOYSA-N
XLogP-0.07
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 119358036
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 104976335
[(3R)-3-methylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 81427482
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
[(3S)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 102612004
[(3R)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 105056306

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone (CID 119577834) is (4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone is COc1ncnc(OC)c1C(=O)N1CCNC(C)C1.
What is the InChIKey of (4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is MOHYVBRMNVKECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-6-16(5-4-13-8)12(17)9-10(18-2)14-7-15-11(9)19-3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of (4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone?
(4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119577834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).