7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine

C19H22FN5 — CID 69078123

IUPAC7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine
SMILESCN1C(N)=Nc2cc(-c3c(F)cccc3N3CCCC3)ccc2C1N
InChIInChI=1S/C19H22FN5/c1-24-18(21)13-8-7-12(11-15(13)23-19(24)22)17-14(20)5-4-6-16(17)25-9-2-3-10-25/h4-8,11,18H,2-3,9-10,21H2,1H3,(H2,22,23)
InChIKeySAUJASKSSOCGSM-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.94
Rot. Bonds2

About 7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine

7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine (PubChem CID 69078123) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine
PubChem CID69078123
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine
SMILESCN1C(N)=Nc2cc(-c3c(F)cccc3N3CCCC3)ccc2C1N
InChIInChI=1S/C19H22FN5/c1-24-18(21)13-8-7-12(11-15(13)23-19(24)22)17-14(20)5-4-6-16(17)25-9-2-3-10-25/h4-8,11,18H,2-3,9-10,21H2,1H3,(H2,22,23)
InChIKeySAUJASKSSOCGSM-UHFFFAOYSA-N
XLogP2.94
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine?
The IUPAC name of 7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine (CID 69078123) is 7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine.
What is the SMILES notation for 7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine?
The canonical SMILES for 7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine is CN1C(N)=Nc2cc(-c3c(F)cccc3N3CCCC3)ccc2C1N.
What is the InChIKey of 7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine?
The InChIKey is SAUJASKSSOCGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-24-18(21)13-8-7-12(11-15(13)23-19(24)22)17-14(20)5-4-6-16(17)25-9-2-3-10-25/h4-8,11,18H,2-3,9-10,21H2,1H3,(H2,22,23).
What are the key properties of 7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine?
7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine has a molecular weight of 339.42 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine is sourced from PubChem (CID 69078123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).