N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H18N4O — CID 653674

IUPACN-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2cc3nc(C)cc(NCc4ccco4)n3n2)cc1
InChIInChI=1S/C19H18N4O/c1-13-5-7-15(8-6-13)17-11-19-21-14(2)10-18(23(19)22-17)20-12-16-4-3-9-24-16/h3-11,20H,12H2,1-2H3
InChIKeyDHPBVXOANNXLQV-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.22
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 653674) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID653674
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2cc3nc(C)cc(NCc4ccco4)n3n2)cc1
InChIInChI=1S/C19H18N4O/c1-13-5-7-15(8-6-13)17-11-19-21-14(2)10-18(23(19)22-17)20-12-16-4-3-9-24-16/h3-11,20H,12H2,1-2H3
InChIKeyDHPBVXOANNXLQV-UHFFFAOYSA-N
XLogP4.22
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24768401
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1-methylpiperidin-4-yl)acetamide
CID 24768423
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 9929470
2-(Furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10127804
2-(Furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10196061
2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903
4-(Furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 10246959
7-[3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10309974
1-[4-[3-[5-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 10311130
2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10737168

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 653674) is N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(-c2cc3nc(C)cc(NCc4ccco4)n3n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DHPBVXOANNXLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-5-7-15(8-6-13)17-11-19-21-14(2)10-18(23(19)22-17)20-12-16-4-3-9-24-16/h3-11,20H,12H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 318.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 653674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).