[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C19H23N5O2 — CID 109339086

IUPAC[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C19H23N5O2/c1-26-17-5-3-2-4-16(17)23-8-10-24(11-9-23)19(25)15-12-18(21-13-20-15)22-14-6-7-14/h2-5,12-14H,6-11H2,1H3,(H,20,21,22)
InChIKeyXGNDKSNEPIYFOB-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.02
Rot. Bonds5

About [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 109339086) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID109339086
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C19H23N5O2/c1-26-17-5-3-2-4-16(17)23-8-10-24(11-9-23)19(25)15-12-18(21-13-20-15)22-14-6-7-14/h2-5,12-14H,6-11H2,1H3,(H,20,21,22)
InChIKeyXGNDKSNEPIYFOB-UHFFFAOYSA-N
XLogP2.02
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109344728
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146080208
1-[4-[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346001
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 91959859
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342792
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365036
N-cyclopropyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 35131778
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109361605

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 109339086) is [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc(NC3CC3)ncn2)CC1.
What is the InChIKey of [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is XGNDKSNEPIYFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-26-17-5-3-2-4-16(17)23-8-10-24(11-9-23)19(25)15-12-18(21-13-20-15)22-14-6-7-14/h2-5,12-14H,6-11H2,1H3,(H,20,21,22).
What are the key properties of [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109339086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).