6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

C21H25FN6 — CID 122602474

IUPAC6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCN1CCCCC1N(C)Cc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C21H25FN6/c1-27-8-4-3-5-19(27)28(2)12-14-9-15(11-16(22)10-14)17-6-7-18-20(26-17)21(23)25-13-24-18/h6-7,9-11,13,19H,3-5,8,12H2,1-2H3,(H2,23,24,25)
InChIKeyJOSSXEXLIGYRTD-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.29
Rot. Bonds4

About 6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 122602474) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID122602474
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCN1CCCCC1N(C)Cc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C21H25FN6/c1-27-8-4-3-5-19(27)28(2)12-14-9-15(11-16(22)10-14)17-6-7-18-20(26-17)21(23)25-13-24-18/h6-7,9-11,13,19H,3-5,8,12H2,1-2H3,(H2,23,24,25)
InChIKeyJOSSXEXLIGYRTD-UHFFFAOYSA-N
XLogP3.29
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 122602474) is 6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is CN1CCCCC1N(C)Cc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1.
What is the InChIKey of 6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is JOSSXEXLIGYRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6/c1-27-8-4-3-5-19(27)28(2)12-14-9-15(11-16(22)10-14)17-6-7-18-20(26-17)21(23)25-13-24-18/h6-7,9-11,13,19H,3-5,8,12H2,1-2H3,(H2,23,24,25).
What are the key properties of 6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 380.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122602474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).