N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H18N4O — CID 126473631

IUPACN-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(CNc2ccnc3c(-c4ccoc4)cnn23)c(C)c1
InChIInChI=1S/C19H18N4O/c1-13-3-4-15(14(2)9-13)10-21-18-5-7-20-19-17(11-22-23(18)19)16-6-8-24-12-16/h3-9,11-12,21H,10H2,1-2H3
InChIKeyAIRPWRBYLNSOBB-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.22
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126473631) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126473631
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(CNc2ccnc3c(-c4ccoc4)cnn23)c(C)c1
InChIInChI=1S/C19H18N4O/c1-13-3-4-15(14(2)9-13)10-21-18-5-7-20-19-17(11-22-23(18)19)16-6-8-24-12-16/h3-9,11-12,21H,10H2,1-2H3
InChIKeyAIRPWRBYLNSOBB-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 126473631) is N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(CNc2ccnc3c(-c4ccoc4)cnn23)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AIRPWRBYLNSOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-3-4-15(14(2)9-13)10-21-18-5-7-20-19-17(11-22-23(18)19)16-6-8-24-12-16/h3-9,11-12,21H,10H2,1-2H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)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-[(2,4-dimethylphenyl)methyl]-3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126473631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).