N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine

C27H36N6O3 — CID 57441961

IUPACN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C27H36N6O3/c1-19-17-35-13-10-32(19)26-23-7-8-24(22-6-4-5-21(15-22)16-28-9-12-34-3)29-25(23)30-27(31-26)33-11-14-36-18-20(33)2/h4-8,15,19-20,28H,9-14,16-18H2,1-3H3/t19-,20-/m0/s1
InChIKeyJDNUJPXLDZLWMM-PMACEKPBSA-N
MW492.62 g/mol
LogP2.88
Rot. Bonds8

About N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine

N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine (PubChem CID 57441961) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine
PubChem CID57441961
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C27H36N6O3/c1-19-17-35-13-10-32(19)26-23-7-8-24(22-6-4-5-21(15-22)16-28-9-12-34-3)29-25(23)30-27(31-26)33-11-14-36-18-20(33)2/h4-8,15,19-20,28H,9-14,16-18H2,1-3H3/t19-,20-/m0/s1
InChIKeyJDNUJPXLDZLWMM-PMACEKPBSA-N
XLogP2.88
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
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CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
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5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine (CID 57441961) is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine is COCCNCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1.
What is the InChIKey of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is JDNUJPXLDZLWMM-PMACEKPBSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-19-17-35-13-10-32(19)26-23-7-8-24(22-6-4-5-21(15-22)16-28-9-12-34-3)29-25(23)30-27(31-26)33-11-14-36-18-20(33)2/h4-8,15,19-20,28H,9-14,16-18H2,1-3H3/t19-,20-/m0/s1.
What are the key properties of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine?
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 492.62 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 57441961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).