3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine

C13H15N5 — CID 143406596

IUPAC3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=C/C=C(/CNc1ccnc2c(C)cnn12)N=C
InChIInChI=1S/C13H15N5/c1-4-5-11(14-3)9-16-12-6-7-15-13-10(2)8-17-18(12)13/h4-8,16H,1,3,9H2,2H3/b11-5-
InChIKeySPTLZPBSWBNDDO-WZUFQYTHSA-N
MW241.30 g/mol
LogP2.22
Rot. Bonds5

About 3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143406596) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143406596
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=C/C=C(/CNc1ccnc2c(C)cnn12)N=C
InChIInChI=1S/C13H15N5/c1-4-5-11(14-3)9-16-12-6-7-15-13-10(2)8-17-18(12)13/h4-8,16H,1,3,9H2,2H3/b11-5-
InChIKeySPTLZPBSWBNDDO-WZUFQYTHSA-N
XLogP2.22
TPSA54.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid
CID 166272427
3-bromo-N-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-5-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 143440606
7-bromo-3-methylpyrazolo[1,5-a]pyrimidine
CID 133059303
7-cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine;ethane
CID 156823373
ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 143656235
N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473631
4-[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]but-1-en-2-ol
CID 89234647
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473838
2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine
CID 143699702
3-(4-aminophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126473680
N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126473476
[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
CID 126474527

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 143406596) is 3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine is C=C/C=C(/CNc1ccnc2c(C)cnn12)N=C.
What is the InChIKey of 3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SPTLZPBSWBNDDO-WZUFQYTHSA-N. The full InChI is InChI=1S/C13H15N5/c1-4-5-11(14-3)9-16-12-6-7-15-13-10(2)8-17-18(12)13/h4-8,16H,1,3,9H2,2H3/b11-5-.
What are the key properties of 3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 241.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143406596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).