4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde

C12H14ClN5O — CID 80732783

IUPAC4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NC(C)Cn2cccn2)n1
InChIInChI=1S/C12H14ClN5O/c1-8(6-18-5-3-4-14-18)15-12-10(7-19)11(13)16-9(2)17-12/h3-5,7-8H,6H2,1-2H3,(H,15,16,17)
InChIKeyIFQZFSNLCAOMGM-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.95
Rot. Bonds5

About 4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde (PubChem CID 80732783) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
PubChem CID80732783
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NC(C)Cn2cccn2)n1
InChIInChI=1S/C12H14ClN5O/c1-8(6-18-5-3-4-14-18)15-12-10(7-19)11(13)16-9(2)17-12/h3-5,7-8H,6H2,1-2H3,(H,15,16,17)
InChIKeyIFQZFSNLCAOMGM-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-N,2,5-trimethyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809420
3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750617
4-(but-3-yn-2-ylamino)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 106196454
4-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80725812
4-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 114177385
4-chloro-2-methyl-6-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 114168046
5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076363
methyl 2-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80732785
N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine
CID 54937576
3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 106875596
6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80809032
3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid
CID 62709836

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde (CID 80732783) is 4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(NC(C)Cn2cccn2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde?
The InChIKey is IFQZFSNLCAOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-8(6-18-5-3-4-14-18)15-12-10(7-19)11(13)16-9(2)17-12/h3-5,7-8H,6H2,1-2H3,(H,15,16,17).
What are the key properties of 4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde has a molecular weight of 279.73 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 80732783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).