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

C10H17N3O2 — CID 76998018

IUPAC5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(CNC(C)C)NC1=O
InChIInChI=1S/C10H17N3O2/c1-4-7-9(14)12-8(13-10(7)15)5-11-6(2)3/h6-7,11H,4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyQGVRILZFZDUFSQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.07
Rot. Bonds4

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

5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione (PubChem CID 76998018) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione
PubChem CID76998018
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(CNC(C)C)NC1=O
InChIInChI=1S/C10H17N3O2/c1-4-7-9(14)12-8(13-10(7)15)5-11-6(2)3/h6-7,11H,4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyQGVRILZFZDUFSQ-UHFFFAOYSA-N
XLogP0.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.07
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-(1-amino-2,2-dimethylpropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550724
5-fluoro-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione
CID 80550921
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
2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 123475358
4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123907686
N-[C-(aminomethyl)-N-methylcarbonimidoyl]-2-methylbutanamide
CID 130443963
N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide
CID 166926759
5-ethyl-2-(piperazin-1-ylmethyl)-1H-pyrimidine-4,6-dione
CID 76175597
2-(1-piperazin-1-ylethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76175609
5-ethyl-2-(1-piperazin-1-ylpropyl)-1H-pyrimidine-4,6-dione
CID 76175621

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione (CID 76998018) is 5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione is CCC1C(=O)N=C(CNC(C)C)NC1=O.
What is the InChIKey of 5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione?
The InChIKey is QGVRILZFZDUFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-7-9(14)12-8(13-10(7)15)5-11-6(2)3/h6-7,11H,4-5H2,1-3H3,(H,12,13,14,15).
What are the key properties of 5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione?
5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione has a molecular weight of 211.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).