N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide

C16H26N6O2 — CID 109325558

IUPACN-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN(C)C)nc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C16H26N6O2/c1-13-11-14(15(24)17-5-4-6-20(2)3)19-16(18-13)22-9-7-21(12-23)8-10-22/h11-12H,4-10H2,1-3H3,(H,17,24)
InChIKeyHWGOAASCMGTMHU-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.26
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109325558) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID109325558
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN(C)C)nc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C16H26N6O2/c1-13-11-14(15(24)17-5-4-6-20(2)3)19-16(18-13)22-9-7-21(12-23)8-10-22/h11-12H,4-10H2,1-3H3,(H,17,24)
InChIKeyHWGOAASCMGTMHU-UHFFFAOYSA-N
XLogP-0.26
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301855
N-[2-(dimethylamino)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324197
N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 109326326
2-(4-formylpiperazin-1-yl)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109326285
N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109320621
2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109326296
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326312
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95744380
N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326393
N-(3-acetylphenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326383
4-[4-(4-ethylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109326145

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide (CID 109325558) is N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCCN(C)C)nc(N2CCN(C=O)CC2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is HWGOAASCMGTMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-13-11-14(15(24)17-5-4-6-20(2)3)19-16(18-13)22-9-7-21(12-23)8-10-22/h11-12H,4-10H2,1-3H3,(H,17,24).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of -0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109325558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).