4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

C26H33N5O4 — CID 123974274

IUPAC4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(N3CCOC(CNCc4ccc(C)cc4)C3)n2)cc(OC)c1OC
InChIInChI=1S/C26H33N5O4/c1-18-5-7-19(8-6-18)15-27-16-21-17-31(11-12-35-21)24-9-10-28-26(30-24)29-20-13-22(32-2)25(34-4)23(14-20)33-3/h5-10,13-14,21,27H,11-12,15-17H2,1-4H3,(H,28,29,30)
InChIKeyUXQJGNBCIWPXER-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.55
Rot. Bonds10

About 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 123974274) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID123974274
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(N3CCOC(CNCc4ccc(C)cc4)C3)n2)cc(OC)c1OC
InChIInChI=1S/C26H33N5O4/c1-18-5-7-19(8-6-18)15-27-16-21-17-31(11-12-35-21)24-9-10-28-26(30-24)29-20-13-22(32-2)25(34-4)23(14-20)33-3/h5-10,13-14,21,27H,11-12,15-17H2,1-4H3,(H,28,29,30)
InChIKeyUXQJGNBCIWPXER-UHFFFAOYSA-N
XLogP3.55
TPSA90.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]thiomorpholine-2-carboxamide
CID 67479422
N-[(4-phenylphenyl)methyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 76510733
N-[(3-methylphenyl)methyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 76511394
1-[4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888949
2-[(3S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidin-3-yl]-N,N-dimethylacetamide
CID 142727190
(2R)-2-[(4-methoxyphenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
CID 124990787
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502
1-[4-(2-methoxy-5-methylphenyl)morpholin-2-yl]-N-methylmethanamine
CID 82297538
N-(oxolan-2-ylmethyl)-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87365492
(3S)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53495177
(3S)-N-[(5-bromo-2-fluorophenyl)methyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 54596951
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885070

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 123974274) is 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is COc1cc(Nc2nccc(N3CCOC(CNCc4ccc(C)cc4)C3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is UXQJGNBCIWPXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-18-5-7-19(8-6-18)15-27-16-21-17-31(11-12-35-21)24-9-10-28-26(30-24)29-20-13-22(32-2)25(34-4)23(14-20)33-3/h5-10,13-14,21,27H,11-12,15-17H2,1-4H3,(H,28,29,30).
What are the key properties of 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 479.58 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(4-methylphenyl)methylamino]methyl]morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 123974274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).