N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H18N6 — CID 143441491

IUPACN-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(NCc3ccc(N)nc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H18N6/c1-13-10-23-25-18(22-12-14-7-8-17(20)21-11-14)9-16(24-19(13)25)15-5-3-2-4-6-15/h2-11,22H,12H2,1H3,(H2,20,21)
InChIKeyNRSGFLIHDJVKNU-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.29
Rot. Bonds4

About N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143441491) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143441491
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(NCc3ccc(N)nc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H18N6/c1-13-10-23-25-18(22-12-14-7-8-17(20)21-11-14)9-16(24-19(13)25)15-5-3-2-4-6-15/h2-11,22H,12H2,1H3,(H2,20,21)
InChIKeyNRSGFLIHDJVKNU-UHFFFAOYSA-N
XLogP3.29
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 89057854
CID 89057854
6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 70878976
5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 171081187
3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 157275730
N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 70806611
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 21067401
3-bromo-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine;3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158192871
3-but-2-ynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067225
4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 11221666
3-methanimidoyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 136623427
3-bromo-N-[[6-[2-(dimethylamino)ethoxy]-1-hydroxypyridin-1-ium-3-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 21067197
3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143441491) is N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(NCc3ccc(N)nc3)cc(-c3ccccc3)nc12.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NRSGFLIHDJVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-13-10-23-25-18(22-12-14-7-8-17(20)21-11-14)9-16(24-19(13)25)15-5-3-2-4-6-15/h2-11,22H,12H2,1H3,(H2,20,21).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143441491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).