6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine

C16H16F2N6 — CID 71996426

IUPAC6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine
SMILESCn1cc(N2CCC(Nc3ncnc4cc(F)c(F)cc34)C2)cn1
InChIInChI=1S/C16H16F2N6/c1-23-8-11(6-21-23)24-3-2-10(7-24)22-16-12-4-13(17)14(18)5-15(12)19-9-20-16/h4-6,8-10H,2-3,7H2,1H3,(H,19,20,22)
InChIKeyYRQSKJMLWVXKIA-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.33
Rot. Bonds3

About 6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine

6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine (PubChem CID 71996426) has the molecular formula C16H16F2N6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine
PubChem CID71996426
Molecular FormulaC16H16F2N6
Molecular Weight330.34 g/mol
Exact Mass330.14
IUPAC Name6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine
SMILESCn1cc(N2CCC(Nc3ncnc4cc(F)c(F)cc34)C2)cn1
InChIInChI=1S/C16H16F2N6/c1-23-8-11(6-21-23)24-3-2-10(7-24)22-16-12-4-13(17)14(18)5-15(12)19-9-20-16/h4-6,8-10H,2-3,7H2,1H3,(H,19,20,22)
InChIKeyYRQSKJMLWVXKIA-UHFFFAOYSA-N
XLogP2.33
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine?
The IUPAC name of 6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine (CID 71996426) is 6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine.
What is the SMILES notation for 6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine?
The canonical SMILES for 6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine is Cn1cc(N2CCC(Nc3ncnc4cc(F)c(F)cc34)C2)cn1.
What is the InChIKey of 6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine?
The InChIKey is YRQSKJMLWVXKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6/c1-23-8-11(6-21-23)24-3-2-10(7-24)22-16-12-4-13(17)14(18)5-15(12)19-9-20-16/h4-6,8-10H,2-3,7H2,1H3,(H,19,20,22).
What are the key properties of 6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine?
6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine has a molecular weight of 330.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinazolin-4-amine is sourced from PubChem (CID 71996426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).