4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde

C14H21ClN4O — CID 105415306

IUPAC4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C14H21ClN4O/c1-10-16-12(15)11(8-20)13(17-10)19(4)9-14(18(2)3)6-5-7-14/h8H,5-7,9H2,1-4H3
InChIKeyQGRGDHVUPINNEJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.17
Rot. Bonds5

About 4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde (PubChem CID 105415306) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
PubChem CID105415306
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C14H21ClN4O/c1-10-16-12(15)11(8-20)13(17-10)19(4)9-14(18(2)3)6-5-7-14/h8H,5-7,9H2,1-4H3
InChIKeyQGRGDHVUPINNEJ-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-[5-hydroxypentyl(methyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 107200569
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine
CID 105419883
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
4-chloro-2-methyl-6-[methyl-(2-methylcyclohexyl)amino]pyrimidine-5-carbaldehyde
CID 80732957
4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80732277
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 105420985
4-chloro-2-methyl-6-[methyl(4-methylpentan-2-yl)amino]pyrimidine-5-carbaldehyde
CID 80732291
4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde
CID 80731639
6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine
CID 105419888
4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde
CID 80733092
4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
CID 80732052
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine
CID 105419869

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde (CID 105415306) is 4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(N(C)CC2(N(C)C)CCC2)n1.
What is the InChIKey of 4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is QGRGDHVUPINNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-10-16-12(15)11(8-20)13(17-10)19(4)9-14(18(2)3)6-5-7-14/h8H,5-7,9H2,1-4H3.
What are the key properties of 4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 296.80 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 105415306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).