4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one

C10H17N3O2 — CID 137009080

IUPAC4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCCN(CC)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O2/c1-4-6-13(5-2)9-8(15-3)10(14)12-7-11-9/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyHQOGOEHCNXXQCD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds5

About 4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137009080) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID137009080
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCCN(CC)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O2/c1-4-6-13(5-2)9-8(15-3)10(14)12-7-11-9/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyHQOGOEHCNXXQCD-UHFFFAOYSA-N
XLogP1.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate
CID 136989669
5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978681
4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972773
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005
5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one
CID 136978148
5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009559
2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 137015754
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
5-methoxy-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 136990031
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 137009080) is 4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCCN(CC)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is HQOGOEHCNXXQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-6-13(5-2)9-8(15-3)10(14)12-7-11-9/h7H,4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137009080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).