N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C18H19N5O2 — CID 133445558

IUPACN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCc1nn(C)c(OC)c1CNc1ncnc2c1oc1ccccc12
InChIInChI=1S/C18H19N5O2/c1-4-13-12(18(24-3)23(2)22-13)9-19-17-16-15(20-10-21-17)11-7-5-6-8-14(11)25-16/h5-8,10H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyQIVJFJCEDXMEFY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.29
Rot. Bonds5

About N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 133445558) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID133445558
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCc1nn(C)c(OC)c1CNc1ncnc2c1oc1ccccc12
InChIInChI=1S/C18H19N5O2/c1-4-13-12(18(24-3)23(2)22-13)9-19-17-16-15(20-10-21-17)11-7-5-6-8-14(11)25-16/h5-8,10H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyQIVJFJCEDXMEFY-UHFFFAOYSA-N
XLogP3.29
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 133445558) is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCc1nn(C)c(OC)c1CNc1ncnc2c1oc1ccccc12.
What is the InChIKey of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is QIVJFJCEDXMEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-4-13-12(18(24-3)23(2)22-13)9-19-17-16-15(20-10-21-17)11-7-5-6-8-14(11)25-16/h5-8,10H,4,9H2,1-3H3,(H,19,20,21).
What are the key properties of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 337.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133445558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).