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

C8H10FN3O2 — CID 80550948

IUPAC2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
SMILESO=C1N=C(CNC2CC2)NC(=O)C1F
InChIInChI=1S/C8H10FN3O2/c9-6-7(13)11-5(12-8(6)14)3-10-4-1-2-4/h4,6,10H,1-3H2,(H,11,12,13,14)
InChIKeyLDTCMFWRALWHSM-UHFFFAOYSA-N
MW199.18 g/mol
LogP-0.87
Rot. Bonds3

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

2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione (PubChem CID 80550948) has the molecular formula C8H10FN3O2 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
PubChem CID80550948
Molecular FormulaC8H10FN3O2
Molecular Weight199.18 g/mol
Exact Mass199.08
IUPAC Name2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
SMILESO=C1N=C(CNC2CC2)NC(=O)C1F
InChIInChI=1S/C8H10FN3O2/c9-6-7(13)11-5(12-8(6)14)3-10-4-1-2-4/h4,6,10H,1-3H2,(H,11,12,13,14)
InChIKeyLDTCMFWRALWHSM-UHFFFAOYSA-N
XLogP-0.87
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 5-0.87
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

5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione
CID 79502466
3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82522704
2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione
CID 79501110
5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one
CID 114206328
3-[(cyclopropylamino)methyl]-1H-pyridin-2-one
CID 82527356
4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione
CID 66083231
4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine
CID 126782159
4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione
CID 66062982
N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine
CID 141109695
4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one
CID 80638580
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine
CID 62113034
N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine
CID 122171512

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione (CID 80550948) is 2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione is O=C1N=C(CNC2CC2)NC(=O)C1F.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione?
The InChIKey is LDTCMFWRALWHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c9-6-7(13)11-5(12-8(6)14)3-10-4-1-2-4/h4,6,10H,1-3H2,(H,11,12,13,14).
What are the key properties of 2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione?
2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione has a molecular weight of 199.18 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80550948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).