N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide

C26H30N4O4 — CID 91132626

IUPACN-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide
SMILESCOc1cc(CCC(=O)NC(C)C)ccc1Oc1ncncc1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C26H30N4O4/c1-16(2)29-23(31)12-10-19-9-11-21(22(13-19)33-5)34-26-20(14-27-15-28-26)25(32)30-24-17(3)7-6-8-18(24)4/h6-9,11,13-16H,10,12H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyWQNNOJNIYYFJNF-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.60
Rot. Bonds9

About N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide

N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide (PubChem CID 91132626) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide
PubChem CID91132626
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide
SMILESCOc1cc(CCC(=O)NC(C)C)ccc1Oc1ncncc1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C26H30N4O4/c1-16(2)29-23(31)12-10-19-9-11-21(22(13-19)33-5)34-26-20(14-27-15-28-26)25(32)30-24-17(3)7-6-8-18(24)4/h6-9,11,13-16H,10,12H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyWQNNOJNIYYFJNF-UHFFFAOYSA-N
XLogP4.60
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]anilino]-N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide
CID 69063164
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
CID 113037967
2-[3-[2-(dimethylamino)ethylcarbamoyl]anilino]-N-(2,6-dimethylphenyl)-4-(2-methoxy-4-propylphenoxy)pyrimidine-5-carboxamide
CID 69069229
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
N-(2,6-dimethylphenyl)-2-[3-fluoro-4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]anilino]-4-(2-methoxy-4-propylphenoxy)pyrimidine-5-carboxamide
CID 69066962
N-(2,6-dimethylphenyl)-2-[3-fluoro-4-(4-imidazol-1-ylbutoxy)anilino]-4-(2-methoxy-4-propylphenoxy)pyrimidine-5-carboxamide
CID 69071663
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 132763053
N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-[3-methoxy-4-[2-(propan-2-ylamino)ethoxy]anilino]pyrimidine-5-carboxamide
CID 69064412
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide (CID 91132626) is N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide is COc1cc(CCC(=O)NC(C)C)ccc1Oc1ncncc1C(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide?
The InChIKey is WQNNOJNIYYFJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-16(2)29-23(31)12-10-19-9-11-21(22(13-19)33-5)34-26-20(14-27-15-28-26)25(32)30-24-17(3)7-6-8-18(24)4/h6-9,11,13-16H,10,12H2,1-5H3,(H,29,31)(H,30,32).
What are the key properties of N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide?
N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[2-methoxy-4-[3-oxo-3-(propan-2-ylamino)propyl]phenoxy]pyrimidine-5-carboxamide is sourced from PubChem (CID 91132626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).