2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one

C10H17N3O2 — CID 136818886

IUPAC2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1cc(=O)[nH]c(COCC)n1
InChIInChI=1S/C10H17N3O2/c1-3-5-11-8-6-10(14)13-9(12-8)7-15-4-2/h6H,3-5,7H2,1-2H3,(H2,11,12,13,14)
InChIKeyVTPXWAYLPILOSO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.13
Rot. Bonds6

About 2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one

2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one (PubChem CID 136818886) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
PubChem CID136818886
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1cc(=O)[nH]c(COCC)n1
InChIInChI=1S/C10H17N3O2/c1-3-5-11-8-6-10(14)13-9(12-8)7-15-4-2/h6H,3-5,7H2,1-2H3,(H2,11,12,13,14)
InChIKeyVTPXWAYLPILOSO-UHFFFAOYSA-N
XLogP1.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136896828
4-[2-(2,2-difluoroethoxy)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136896836
2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956679
2-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975762
2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 167804464
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
2-(Ethoxymethyl)pyrimidin-4-ol
CID 65667549
6-amino-2-(ethoxymethyl)-4(3H)-pyrimidinone
CID 135456622
4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113
2-(propoxymethyl)-1H-pyrimidin-6-one
CID 61812646

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one (CID 136818886) is 2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one is CCCNc1cc(=O)[nH]c(COCC)n1.
What is the InChIKey of 2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one?
The InChIKey is VTPXWAYLPILOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-11-8-6-10(14)13-9(12-8)7-15-4-2/h6H,3-5,7H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one?
2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136818886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).