1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione

C9H15N3O2 — CID 66328161

IUPAC1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CCCN)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-7-6-12(5-3-4-10)9(14)11-8(7)13/h6H,2-5,10H2,1H3,(H,11,13,14)
InChIKeyDXRLHCOUSNXHPP-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.55
Rot. Bonds4

About 1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione

1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione (PubChem CID 66328161) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
PubChem CID66328161
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CCCN)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-7-6-12(5-3-4-10)9(14)11-8(7)13/h6H,2-5,10H2,1H3,(H,11,13,14)
InChIKeyDXRLHCOUSNXHPP-UHFFFAOYSA-N
XLogP-0.55
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thymine
CID 1135
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
5-Isopropyluracil
CID 98575
6-Amino-5-ethyl-1-propylpyrimidine-2,4-dione
CID 2106914
2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
CID 592713
5-acetyl-1-allyl-2,4(1H,3H)-pyrimidinedione
CID 1484302
5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
N-hexyl-5-methyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71716387
5-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione (CID 66328161) is 1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione is CCc1cn(CCCN)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione?
The InChIKey is DXRLHCOUSNXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-7-6-12(5-3-4-10)9(14)11-8(7)13/h6H,2-5,10H2,1H3,(H,11,13,14).
What are the key properties of 1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione?
1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66328161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).