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

C20H23FN6 — CID 90054806

IUPAC6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCN1CCC(NCc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1
InChIInChI=1S/C20H23FN6/c1-27-6-4-16(5-7-27)23-11-13-8-14(10-15(21)9-13)17-2-3-18-19(26-17)20(22)25-12-24-18/h2-3,8-10,12,16,23H,4-7,11H2,1H3,(H2,22,24,25)
InChIKeyMXVNGHPHUVBCBC-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.60
Rot. Bonds4

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

6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90054806) has the molecular formula C20H23FN6 and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90054806
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCN1CCC(NCc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1
InChIInChI=1S/C20H23FN6/c1-27-6-4-16(5-7-27)23-11-13-8-14(10-15(21)9-13)17-2-3-18-19(26-17)20(22)25-12-24-18/h2-3,8-10,12,16,23H,4-7,11H2,1H3,(H2,22,24,25)
InChIKeyMXVNGHPHUVBCBC-UHFFFAOYSA-N
XLogP2.60
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 90054806) is 6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is CN1CCC(NCc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1.
What is the InChIKey of 6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is MXVNGHPHUVBCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6/c1-27-6-4-16(5-7-27)23-11-13-8-14(10-15(21)9-13)17-2-3-18-19(26-17)20(22)25-12-24-18/h2-3,8-10,12,16,23H,4-7,11H2,1H3,(H2,22,24,25).
What are the key properties of 6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 366.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90054806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).