N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide

C10H12FN5O2 — CID 23169576

IUPACN-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide
SMILESO=[N+]([O-])NC1=NCCCN1Cc1ccc(F)nc1
InChIInChI=1S/C10H12FN5O2/c11-9-3-2-8(6-13-9)7-15-5-1-4-12-10(15)14-16(17)18/h2-3,6H,1,4-5,7H2,(H,12,14)
InChIKeyDFMGJTLLNUGIHD-UHFFFAOYSA-N
MW253.24 g/mol
LogP0.56
Rot. Bonds3

About N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide

N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide (PubChem CID 23169576) has the molecular formula C10H12FN5O2 and a molecular weight of 253.24 g/mol. Its IUPAC name is N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide.

Molecular Properties

Compound NameN-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide
PubChem CID23169576
Molecular FormulaC10H12FN5O2
Molecular Weight253.24 g/mol
Exact Mass253.10
IUPAC NameN-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide
SMILESO=[N+]([O-])NC1=NCCCN1Cc1ccc(F)nc1
InChIInChI=1S/C10H12FN5O2/c11-9-3-2-8(6-13-9)7-15-5-1-4-12-10(15)14-16(17)18/h2-3,6H,1,4-5,7H2,(H,12,14)
InChIKeyDFMGJTLLNUGIHD-UHFFFAOYSA-N
XLogP0.56
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide?
The IUPAC name of N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide (CID 23169576) is N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide.
What is the SMILES notation for N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide?
The canonical SMILES for N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide is O=[N+]([O-])NC1=NCCCN1Cc1ccc(F)nc1.
What is the InChIKey of N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide?
The InChIKey is DFMGJTLLNUGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O2/c11-9-3-2-8(6-13-9)7-15-5-1-4-12-10(15)14-16(17)18/h2-3,6H,1,4-5,7H2,(H,12,14).
What are the key properties of N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide?
N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide has a molecular weight of 253.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-fluoro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]nitramide is sourced from PubChem (CID 23169576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).