2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione

C10H15N3O2 — CID 76998117

IUPAC2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(CNC2CC2)NC1=O
InChIInChI=1S/C10H15N3O2/c1-2-7-9(14)12-8(13-10(7)15)5-11-6-3-4-6/h6-7,11H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyFOJXPBPUPVIIHW-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.18
Rot. Bonds4

About 2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione

2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione (PubChem CID 76998117) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
PubChem CID76998117
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(CNC2CC2)NC1=O
InChIInChI=1S/C10H15N3O2/c1-2-7-9(14)12-8(13-10(7)15)5-11-6-3-4-6/h6-7,11H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyFOJXPBPUPVIIHW-UHFFFAOYSA-N
XLogP-0.18
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1-amino-2-methylpropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550695
2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550750
5-fluoro-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione
CID 80550921
2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550948
2-Methyl-7-propan-2-yl-3,4a,5,7-tetrahydropteridine-4,6-dione
CID 145919099
2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 22084610
5-ethyl-2-(1-piperazin-1-ylpropyl)-1H-pyrimidine-4,6-dione
CID 76175621
5-amino-2-propan-2-yl-1H-pyrimidine-4,6-dione
CID 76220690
2-(1-aminoethyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998013
5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione
CID 76998018
2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione
CID 76998019
5-ethyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione
CID 76998028

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione (CID 76998117) is 2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione is CCC1C(=O)N=C(CNC2CC2)NC1=O.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione?
The InChIKey is FOJXPBPUPVIIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-7-9(14)12-8(13-10(7)15)5-11-6-3-4-6/h6-7,11H,2-5H2,1H3,(H,12,13,14,15).
What are the key properties of 2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione?
2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione has a molecular weight of 209.25 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).