N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide

C16H20N4O3 — CID 146130723

IUPACN-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(N(C)C)ncn2)cc(OC)c1C
InChIInChI=1S/C16H20N4O3/c1-10-12(22-4)6-11(7-13(10)23-5)16(21)19-14-8-15(20(2)3)18-9-17-14/h6-9H,1-5H3,(H,17,18,19,21)
InChIKeyHAMIUPFMMINLBZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.12
Rot. Bonds5

About N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide

N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 146130723) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID146130723
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(N(C)C)ncn2)cc(OC)c1C
InChIInChI=1S/C16H20N4O3/c1-10-12(22-4)6-11(7-13(10)23-5)16(21)19-14-8-15(20(2)3)18-9-17-14/h6-9H,1-5H3,(H,17,18,19,21)
InChIKeyHAMIUPFMMINLBZ-UHFFFAOYSA-N
XLogP2.12
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide
CID 65389157
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2665776
N-(3,5-dichlorophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 4830381
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
4-[[6-(dimethylamino)pyrimidin-4-yl]carbamoylamino]butanoic acid
CID 122091891
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
3-[[6-(dimethylamino)pyrimidin-4-yl]carbamoyl-methylamino]propanoic acid
CID 122091894
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937
6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282022
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[(3S)-2,2-dimethyl-1,1-dioxothietan-3-yl]urea
CID 126831382

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide (CID 146130723) is N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)Nc2cc(N(C)C)ncn2)cc(OC)c1C.
What is the InChIKey of N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is HAMIUPFMMINLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-12(22-4)6-11(7-13(10)23-5)16(21)19-14-8-15(20(2)3)18-9-17-14/h6-9H,1-5H3,(H,17,18,19,21).
What are the key properties of N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide?
N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 316.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 146130723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).