2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one

C14H17N3O4 — CID 2727844

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2nc(O)cc(=O)[nH]2)cc1OC
InChIInChI=1S/C14H17N3O4/c1-20-10-4-3-9(7-11(10)21-2)5-6-15-14-16-12(18)8-13(19)17-14/h3-4,7-8H,5-6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyRUQRJHNBMSHUOJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.15
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one

2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 2727844) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID2727844
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2nc(O)cc(=O)[nH]2)cc1OC
InChIInChI=1S/C14H17N3O4/c1-20-10-4-3-9(7-11(10)21-2)5-6-15-14-16-12(18)8-13(19)17-14/h3-4,7-8H,5-6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyRUQRJHNBMSHUOJ-UHFFFAOYSA-N
XLogP1.15
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612119
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135511625
2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135484550
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136955931
4-[2-(3,4-dimethoxyphenyl)ethylamino]-7,8-dimethoxy-1H-quinolin-2-one
CID 155920037
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780214
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
CID 133410006
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 84761943
4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974051

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one (CID 2727844) is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one is COc1ccc(CCNc2nc(O)cc(=O)[nH]2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is RUQRJHNBMSHUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-20-10-4-3-9(7-11(10)21-2)5-6-15-14-16-12(18)8-13(19)17-14/h3-4,7-8H,5-6H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one?
2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 291.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 2727844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).