6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione

C16H22N4O3 — CID 2363676

IUPAC6-amino-1-butyl-5-[(2-methoxyphenyl)methylamino]pyrimidine-2,4-dione
SMILESCCCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2OC)N
InChIInChI=1S/C16H22N4O3/c1-3-4-9-20-14(17)13(15(21)19-16(20)22)18-10-11-7-5-6-8-12(11)23-2/h5-8,18H,3-4,9-10,17H2,1-2H3,(H,19,21,22)
InChIKeyFLSNRHFZAAEVJQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.60
Rot. Bonds7

About 6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione

6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione (PubChem CID 2363676) has the molecular formula C16H22N4O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(2-methoxyphenyl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
PubChem CID2363676
Molecular FormulaC16H22N4O3
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name6-amino-1-butyl-5-[(2-methoxyphenyl)methylamino]pyrimidine-2,4-dione
SMILESCCCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2OC)N
InChIInChI=1S/C16H22N4O3/c1-3-4-9-20-14(17)13(15(21)19-16(20)22)18-10-11-7-5-6-8-12(11)23-2/h5-8,18H,3-4,9-10,17H2,1-2H3,(H,19,21,22)
InChIKeyFLSNRHFZAAEVJQ-UHFFFAOYSA-N
XLogP1.60
TPSA96.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity478

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione with MolForge

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Related Compounds

2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-4-methylphenyl)methyl)amino)-6-methyl-
CID 454368
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-5-methylphenyl)methyl)amino)-6-methyl-
CID 454369
2(1H)-Pyridinone, 5-ethyl-3-(((5-ethyl-2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454372
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454348
2(1H)-Pyridinone, 3-(((2-ethoxyphenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454350
2(1H)-Pyridinone, 5-ethyl-3-(((4-ethyl-2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454371
6-Amino-1-benzyl-5-[2-(3,4-dimethoxy-phenyl)-ethylamino]-1H-pyrimidine-2,4-dione
CID 2388927
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-3-methylphenyl)methyl)amino)-6-methyl-
CID 454367
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-6-methylphenyl)methyl)amino)-6-methyl-
CID 454370
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2550380
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-methoxybenzamide
CID 2975559
6-amino-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]pyrimidin-2(1H)-one
CID 4909850

Frequently Asked Questions

What is the IUPAC name of 6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The IUPAC name of 6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione (CID 2363676) is 6-amino-1-butyl-5-[(2-methoxyphenyl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The canonical SMILES for 6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione is CCCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2OC)N.
What is the InChIKey of 6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione?
The InChIKey is FLSNRHFZAAEVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-4-9-20-14(17)13(15(21)19-16(20)22)18-10-11-7-5-6-8-12(11)23-2/h5-8,18H,3-4,9-10,17H2,1-2H3,(H,19,21,22).
What are the key properties of 6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione?
6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione has a molecular weight of 318.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Amino-1-butyl-5-{[(2-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione is sourced from PubChem (CID 2363676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).