N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine

C34H33FN8O2 — CID 67177721

IUPACN-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
SMILESCC1COCCN1c1nc(-c2ccc(Nc3cccc(OCc4ccccc4)n3)cc2)nc2c1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C34H33FN8O2/c1-23-21-44-17-16-43(23)33-28-14-15-42(34-36-18-26(35)19-37-34)20-29(28)39-32(41-33)25-10-12-27(13-11-25)38-30-8-5-9-31(40-30)45-22-24-6-3-2-4-7-24/h2-13,18-19,23H,14-17,20-22H2,1H3,(H,38,40)
InChIKeyPKGGHLJYELNDDM-UHFFFAOYSA-N
MW604.69 g/mol
LogP5.58
Rot. Bonds8

About N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine

N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine (PubChem CID 67177721) has the molecular formula C34H33FN8O2 and a molecular weight of 604.69 g/mol. Its IUPAC name is N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
PubChem CID67177721
Molecular FormulaC34H33FN8O2
Molecular Weight604.69 g/mol
Exact Mass604.27
IUPAC NameN-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
SMILESCC1COCCN1c1nc(-c2ccc(Nc3cccc(OCc4ccccc4)n3)cc2)nc2c1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C34H33FN8O2/c1-23-21-44-17-16-43(23)33-28-14-15-42(34-36-18-26(35)19-37-34)20-29(28)39-32(41-33)25-10-12-27(13-11-25)38-30-8-5-9-31(40-30)45-22-24-6-3-2-4-7-24/h2-13,18-19,23H,14-17,20-22H2,1H3,(H,38,40)
InChIKeyPKGGHLJYELNDDM-UHFFFAOYSA-N
XLogP5.58
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.69
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?
The IUPAC name of N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine (CID 67177721) is N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine.
What is the SMILES notation for N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?
The canonical SMILES for N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine is CC1COCCN1c1nc(-c2ccc(Nc3cccc(OCc4ccccc4)n3)cc2)nc2c1CCN(c1ncc(F)cn1)C2.
What is the InChIKey of N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?
The InChIKey is PKGGHLJYELNDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN8O2/c1-23-21-44-17-16-43(23)33-28-14-15-42(34-36-18-26(35)19-37-34)20-29(28)39-32(41-33)25-10-12-27(13-11-25)38-30-8-5-9-31(40-30)45-22-24-6-3-2-4-7-24/h2-13,18-19,23H,14-17,20-22H2,1H3,(H,38,40).
What are the key properties of N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine?
N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine has a molecular weight of 604.69 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(5-fluoropyrimidin-2-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 67177721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).