4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide

C17H29N5O2 — CID 46345570

IUPAC4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)NCCCOC(C)C
InChIInChI=1S/C17H29N5O2/c1-13(2)24-11-5-6-18-16(23)15-12-19-17(20-14(15)3)22-9-7-21(4)8-10-22/h12-13H,5-11H2,1-4H3,(H,18,23)
InChIKeyZSQVBQCESCIDGU-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.08
Rot. Bonds7

About 4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide

4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide (PubChem CID 46345570) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
PubChem CID46345570
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)NCCCOC(C)C
InChIInChI=1S/C17H29N5O2/c1-13(2)24-11-5-6-18-16(23)15-12-19-17(20-14(15)3)22-9-7-21(4)8-10-22/h12-13H,5-11H2,1-4H3,(H,18,23)
InChIKeyZSQVBQCESCIDGU-UHFFFAOYSA-N
XLogP1.08
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.08
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-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
CID 118762672
4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 46345501
N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505284
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505293
4-methyl-2-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504141
N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 74230811
N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345531
4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide
CID 125158178
4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide
CID 118774297
N-(3-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345557

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide (CID 46345570) is 4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide is Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCCCOC(C)C.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide?
The InChIKey is ZSQVBQCESCIDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13(2)24-11-5-6-18-16(23)15-12-19-17(20-14(15)3)22-9-7-21(4)8-10-22/h12-13H,5-11H2,1-4H3,(H,18,23).
What are the key properties of 4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide?
4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 46345570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).