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

C10H15N3O2 — CID 76998060

IUPAC2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(C(N)C2CC2)NC1=O
InChIInChI=1S/C10H15N3O2/c1-2-6-9(14)12-8(13-10(6)15)7(11)5-3-4-5/h5-7H,2-4,11H2,1H3,(H,12,13,14,15)
InChIKeyNRIQMDUITZNXHR-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.20
Rot. Bonds3

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

2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione (PubChem CID 76998060) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
PubChem CID76998060
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(C(N)C2CC2)NC1=O
InChIInChI=1S/C10H15N3O2/c1-2-6-9(14)12-8(13-10(6)15)7(11)5-3-4-5/h5-7H,2-4,11H2,1H3,(H,12,13,14,15)
InChIKeyNRIQMDUITZNXHR-UHFFFAOYSA-N
XLogP-0.20
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.20
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-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550666
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
4-methyl-2-pentan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123410253
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
2-(1-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998055
2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione
CID 76998061
5-ethyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
CID 76998104
2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione
CID 76998105

Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione (CID 76998060) is 2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione is CCC1C(=O)N=C(C(N)C2CC2)NC1=O.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione?
The InChIKey is NRIQMDUITZNXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-6-9(14)12-8(13-10(6)15)7(11)5-3-4-5/h5-7H,2-4,11H2,1H3,(H,12,13,14,15).
What are the key properties of 2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione?
2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione has a molecular weight of 209.25 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).