N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide

C19H26N4O4 — CID 4791722

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2cc(C)cc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-5-6-23-16(20)15(17(24)21-19(23)26)22(7-8-27-4)18(25)14-10-12(2)9-13(3)11-14/h9-11H,5-8,20H2,1-4H3,(H,21,24,26)
InChIKeyLXVKSAIDOROCLX-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.44
Rot. Bonds7

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide (PubChem CID 4791722) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide
PubChem CID4791722
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2cc(C)cc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-5-6-23-16(20)15(17(24)21-19(23)26)22(7-8-27-4)18(25)14-10-12(2)9-13(3)11-14/h9-11H,5-8,20H2,1-4H3,(H,21,24,26)
InChIKeyLXVKSAIDOROCLX-UHFFFAOYSA-N
XLogP1.44
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide (CID 4791722) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide is CCCn1c(N)c(N(CCOC)C(=O)c2cc(C)cc(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide?
The InChIKey is LXVKSAIDOROCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-5-6-23-16(20)15(17(24)21-19(23)26)22(7-8-27-4)18(25)14-10-12(2)9-13(3)11-14/h9-11H,5-8,20H2,1-4H3,(H,21,24,26).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 4791722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).