5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one

C10H17N3O — CID 83879428

IUPAC5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one
SMILESCCn1c(C)ncc(CCCN)c1=O
InChIInChI=1S/C10H17N3O/c1-3-13-8(2)12-7-9(10(13)14)5-4-6-11/h7H,3-6,11H2,1-2H3
InChIKeyLMAJQYMUZCUZKE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.46
Rot. Bonds4

About 5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one

5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one (PubChem CID 83879428) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one
PubChem CID83879428
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one
SMILESCCn1c(C)ncc(CCCN)c1=O
InChIInChI=1S/C10H17N3O/c1-3-13-8(2)12-7-9(10(13)14)5-4-6-11/h7H,3-6,11H2,1-2H3
InChIKeyLMAJQYMUZCUZKE-UHFFFAOYSA-N
XLogP0.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
3-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 99983903
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260666
2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 126542947
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 126543346
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488
2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940576
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940615
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
CID 144503930
5-Butan-2-yl-2,3-dimethylpyrimidin-4-one
CID 153576843
5-butyl-2-methyl-1H-pyrimidin-6-one
CID 154318485
2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide
CID 155267549

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one?
The IUPAC name of 5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one (CID 83879428) is 5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one?
The canonical SMILES for 5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one is CCn1c(C)ncc(CCCN)c1=O.
What is the InChIKey of 5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one?
The InChIKey is LMAJQYMUZCUZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-13-8(2)12-7-9(10(13)14)5-4-6-11/h7H,3-6,11H2,1-2H3.
What are the key properties of 5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one?
5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-ethyl-2-methylpyrimidin-4-one is sourced from PubChem (CID 83879428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).