4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C13H14N8 — CID 118209525

IUPAC4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(-c3ccnc(NN)c3)n2)cn1
InChIInChI=1S/C13H14N8/c1-21-8-10(7-17-21)18-13-16-5-3-11(19-13)9-2-4-15-12(6-9)20-14/h2-8H,14H2,1H3,(H,15,20)(H,16,18,19)
InChIKeyPMHDRJOEBSDGKK-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.30
Rot. Bonds4

About 4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 118209525) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID118209525
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(-c3ccnc(NN)c3)n2)cn1
InChIInChI=1S/C13H14N8/c1-21-8-10(7-17-21)18-13-16-5-3-11(19-13)9-2-4-15-12(6-9)20-14/h2-8H,14H2,1H3,(H,15,20)(H,16,18,19)
InChIKeyPMHDRJOEBSDGKK-UHFFFAOYSA-N
XLogP1.30
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151424564
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941
2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol
CID 118139758
4-[4-[(chloroamino)methyl]-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 122650813
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 170326720
1-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazole-5-carboxylic acid
CID 163218257
5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 144686765
1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone
CID 152574958
1-[8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]propan-2-ol
CID 170148266
N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
CID 150455915
(3R)-3-hydroxy-1-methyl-3-[3-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326465

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 118209525) is 4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is Cn1cc(Nc2nccc(-c3ccnc(NN)c3)n2)cn1.
What is the InChIKey of 4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is PMHDRJOEBSDGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c1-21-8-10(7-17-21)18-13-16-5-3-11(19-13)9-2-4-15-12(6-9)20-14/h2-8H,14H2,1H3,(H,15,20)(H,16,18,19).
What are the key properties of 4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 118209525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).