2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one

C17H23N3O3 — CID 135430012

IUPAC2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCCOCc1nc(N)[nH]c(=O)c1Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H23N3O3/c1-4-22-10-15-14(16(21)20-17(18)19-15)9-12-5-7-13(8-6-12)23-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H3,18,19,20,21)
InChIKeyKLSOKKPCMIODRW-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.27
Rot. Bonds7

About 2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one

2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135430012) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135430012
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCCOCc1nc(N)[nH]c(=O)c1Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H23N3O3/c1-4-22-10-15-14(16(21)20-17(18)19-15)9-12-5-7-13(8-6-12)23-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H3,18,19,20,21)
InChIKeyKLSOKKPCMIODRW-UHFFFAOYSA-N
XLogP2.27
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 1974066
2-amino-5-(3-ethoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido(2,3-d)pyrimidine-4,7-dione
CID 142550463
N1-[4-hydroxy-6-methyl-5-(4-methylphenoxy)pyrimidin-2-yl]acetamide
CID 135468732
5-(3-Methyl-4-propoxybenzyl)-2-(methylsulfanyl)-4,6-pyrimidinediol
CID 1909478
2-Amino-6-(4-(benzyloxy)phenyl)pyrimidin-4(3H)-one
CID 136224231
2-Amino-5-(3-methyl-4-propoxy-benzyl)-pyrimidine-4,6-diol
CID 1901313
5-[(4-butoxyphenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
CID 1963335
5-(4-Isobutoxybenzyl)-2-mercapto-6-methyl-4-pyrimidinol
CID 931559
5-(4-Ethoxybenzyl)-6-(ethoxymethyl)-2-sulfanylpyrimidin-4-ol
CID 1931685
2-[[4-methyl-6-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135430045
2-(4-Isopropoxybenzyl)-6-methyl-4-pyrimidinol
CID 135449245
2-amino-4-[4-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 136216668

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one (CID 135430012) is 2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one is CCOCc1nc(N)[nH]c(=O)c1Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is KLSOKKPCMIODRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-22-10-15-14(16(21)20-17(18)19-15)9-12-5-7-13(8-6-12)23-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H3,18,19,20,21).
What are the key properties of 2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 317.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135430012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).