N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide

C18H24N4O3 — CID 4791036

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O3/c1-4-6-10-22-15(19)14(16(23)20-18(22)25)21(5-2)17(24)13-9-7-8-12(3)11-13/h7-9,11H,4-6,10,19H2,1-3H3,(H,20,23,25)
InChIKeyVFBVCFNCVJFMFA-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.89
Rot. Bonds6

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide (PubChem CID 4791036) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide
PubChem CID4791036
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O3/c1-4-6-10-22-15(19)14(16(23)20-18(22)25)21(5-2)17(24)13-9-7-8-12(3)11-13/h7-9,11H,4-6,10,19H2,1-3H3,(H,20,23,25)
InChIKeyVFBVCFNCVJFMFA-UHFFFAOYSA-N
XLogP1.89
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2392273
1-(Cyclopenten-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione
CID 483495
6-Amino-5-benzylamino-1-butyl-1H-pyrimidine-2,4-dione
CID 2341173
3-Methyl-5-{[5-(1-Methylethyl)-2,6-Dioxo-3-Propyl-1,2,3,6-Tetrahydropyrimidin-4-Yl]carbonyl}benzonitrile
CID 25212989
3-{[3-Butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
CID 25212990
6-Amino-1-benzyl-5-methylaminouracil
CID 726225
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-ethylacetamide
CID 2096792
1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione
CID 474598
1-(Cyclopentyl)methyl-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
CID 474603

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide (CID 4791036) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide is CCCCn1c(N)c(N(CC)C(=O)c2cccc(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide?
The InChIKey is VFBVCFNCVJFMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-6-10-22-15(19)14(16(23)20-18(22)25)21(5-2)17(24)13-9-7-8-12(3)11-13/h7-9,11H,4-6,10,19H2,1-3H3,(H,20,23,25).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide has a molecular weight of 344.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 4791036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).