2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde

C9H9N5O — CID 165142431

IUPAC2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
SMILESCn1cc(Nc2ncc(C=O)cn2)cn1
InChIInChI=1S/C9H9N5O/c1-14-5-8(4-12-14)13-9-10-2-7(6-15)3-11-9/h2-6H,1H3,(H,10,11,13)
InChIKeyFUXJVPDHNFNXDI-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.77
Rot. Bonds3

About 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde

2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde (PubChem CID 165142431) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
PubChem CID165142431
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
SMILESCn1cc(Nc2ncc(C=O)cn2)cn1
InChIInChI=1S/C9H9N5O/c1-14-5-8(4-12-14)13-9-10-2-7(6-15)3-11-9/h2-6H,1H3,(H,10,11,13)
InChIKeyFUXJVPDHNFNXDI-UHFFFAOYSA-N
XLogP0.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.77
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-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
5-methyl-N-(1-methylpyrazol-4-yl)-4-trimethylstannylpyrimidin-2-amine
CID 170573572
(3aR,6aS)-5-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carbaldehyde
CID 175697307
N-[(1-methylpyrazol-4-yl)amino]formamide
CID 175562689
2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130532664
N-(1-methylpyrazol-4-yl)-4-[(1-methylpyrazol-4-yl)methyl]-5-nitropyrimidin-2-amine
CID 159896045
4-chloro-2-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
CID 80726984
2-(ethylamino)pyrimidine-5-carbaldehyde
CID 11400865
N-(1-methylpyrazol-4-yl)-5-[4-[2-(pyridin-3-ylamino)ethyl]phenyl]pyrimidin-2-amine
CID 166877286
N-(2-ethylphenyl)-1-methylpyrazol-4-amine
CID 125450471
2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde
CID 115028979
N-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 82537519

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde (CID 165142431) is 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde is Cn1cc(Nc2ncc(C=O)cn2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is FUXJVPDHNFNXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-14-5-8(4-12-14)13-9-10-2-7(6-15)3-11-9/h2-6H,1H3,(H,10,11,13).
What are the key properties of 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde?
2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 165142431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).