7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C20H23FN6O — CID 15982181

IUPAC7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(F)cccc3N3CCCC3COC)ccc12
InChIInChI=1S/C20H23FN6O/c1-23-18-13-8-9-15(24-19(13)26-20(22)25-18)17-14(21)6-3-7-16(17)27-10-4-5-12(27)11-28-2/h3,6-9,12H,4-5,10-11H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyHTQGFWKQUKWPKE-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.07
Rot. Bonds5

About 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15982181) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15982181
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(F)cccc3N3CCCC3COC)ccc12
InChIInChI=1S/C20H23FN6O/c1-23-18-13-8-9-15(24-19(13)26-20(22)25-18)17-14(21)6-3-7-16(17)27-10-4-5-12(27)11-28-2/h3,6-9,12H,4-5,10-11H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyHTQGFWKQUKWPKE-UHFFFAOYSA-N
XLogP3.07
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 15982181) is 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3c(F)cccc3N3CCCC3COC)ccc12.
What is the InChIKey of 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HTQGFWKQUKWPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-23-18-13-8-9-15(24-19(13)26-20(22)25-18)17-14(21)6-3-7-16(17)27-10-4-5-12(27)11-28-2/h3,6-9,12H,4-5,10-11H2,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 382.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-6-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15982181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).