[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C21H29N5O2 — CID 109361605

IUPAC[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCCCNc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)nc(C)n1
InChIInChI=1S/C21H29N5O2/c1-4-5-10-22-20-15-17(23-16(2)24-20)21(27)26-13-11-25(12-14-26)18-8-6-7-9-19(18)28-3/h6-9,15H,4-5,10-14H2,1-3H3,(H,22,23,24)
InChIKeyIGNJOCMTMMWYKJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.97
Rot. Bonds7

About [6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 109361605) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID109361605
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCCCNc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)nc(C)n1
InChIInChI=1S/C21H29N5O2/c1-4-5-10-22-20-15-17(23-16(2)24-20)21(27)26-13-11-25(12-14-26)18-8-6-7-9-19(18)28-3/h6-9,15H,4-5,10-14H2,1-3H3,(H,22,23,24)
InChIKeyIGNJOCMTMMWYKJ-UHFFFAOYSA-N
XLogP2.97
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365036
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604
[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109344728
[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538795
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365027
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109361609
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
(4-ethylpiperazin-1-yl)-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109364994
ethyl 4-[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109365034
ethyl 4-[6-(2-methoxyanilino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109373094
[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109115194

Frequently Asked Questions

What is the IUPAC name of [6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 109361605) is [6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is CCCCNc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)nc(C)n1.
What is the InChIKey of [6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is IGNJOCMTMMWYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-5-10-22-20-15-17(23-16(2)24-20)21(27)26-13-11-25(12-14-26)18-8-6-7-9-19(18)28-3/h6-9,15H,4-5,10-14H2,1-3H3,(H,22,23,24).
What are the key properties of [6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109361605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).