N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide

C19H26N4O6 — CID 70591737

IUPACN-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide
SMILESCOc1cc(Cc2cnc(NC(=O)COC(C)OC)nc2N)cc(OC)c1OC
InChIInChI=1S/C19H26N4O6/c1-11(25-2)29-10-16(24)22-19-21-9-13(18(20)23-19)6-12-7-14(26-3)17(28-5)15(8-12)27-4/h7-9,11H,6,10H2,1-5H3,(H3,20,21,22,23,24)
InChIKeyFIDMMIVFBGTFFP-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.62
Rot. Bonds10

About N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide

N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide (PubChem CID 70591737) has the molecular formula C19H26N4O6 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide
PubChem CID70591737
Molecular FormulaC19H26N4O6
Molecular Weight406.44 g/mol
Exact Mass406.19
IUPAC NameN-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide
SMILESCOc1cc(Cc2cnc(NC(=O)COC(C)OC)nc2N)cc(OC)c1OC
InChIInChI=1S/C19H26N4O6/c1-11(25-2)29-10-16(24)22-19-21-9-13(18(20)23-19)6-12-7-14(26-3)17(28-5)15(8-12)27-4/h7-9,11H,6,10H2,1-5H3,(H3,20,21,22,23,24)
InChIKeyFIDMMIVFBGTFFP-UHFFFAOYSA-N
XLogP1.62
TPSA127.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 23452352
2-N-(prop-2-enoxymethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 23452389
3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenoxy]-2,2-dimethylpropanoic acid
CID 44531822
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105
5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 12752257
[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
CID 70937972
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 23299745
N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-methoxyacetamide
CID 58826050
[2-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate
CID 19024033
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 14042005
2-N-benzyl-5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 11675544
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide?
The IUPAC name of N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide (CID 70591737) is N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide.
What is the SMILES notation for N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide?
The canonical SMILES for N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide is COc1cc(Cc2cnc(NC(=O)COC(C)OC)nc2N)cc(OC)c1OC.
What is the InChIKey of N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide?
The InChIKey is FIDMMIVFBGTFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O6/c1-11(25-2)29-10-16(24)22-19-21-9-13(18(20)23-19)6-12-7-14(26-3)17(28-5)15(8-12)27-4/h7-9,11H,6,10H2,1-5H3,(H3,20,21,22,23,24).
What are the key properties of N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide?
N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide has a molecular weight of 406.44 g/mol, XLogP of 1.62, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide is sourced from PubChem (CID 70591737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).