N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H16N4O3 — CID 43596437

IUPACN-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCCNC1CC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c16-9-6-8(14-11(18)15-9)10(17)13-5-1-4-12-7-2-3-7/h6-7,12H,1-5H2,(H,13,17)(H2,14,15,16,18)
InChIKeyWFMXDKMDUWFIII-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.06
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 43596437) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID43596437
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCCNC1CC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c16-9-6-8(14-11(18)15-9)10(17)13-5-1-4-12-7-2-3-7/h6-7,12H,1-5H2,(H,13,17)(H2,14,15,16,18)
InChIKeyWFMXDKMDUWFIII-UHFFFAOYSA-N
XLogP-1.06
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 43596437) is N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NCCCNC1CC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is WFMXDKMDUWFIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-9-6-8(14-11(18)15-9)10(17)13-5-1-4-12-7-2-3-7/h6-7,12H,1-5H2,(H,13,17)(H2,14,15,16,18).
What are the key properties of N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 43596437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).