N-pyrimidin-4-ylformamide;1H-pyrrole

C9H10N4O — CID 174923984

IUPACN-pyrimidin-4-ylformamide;1H-pyrrole
SMILESO=CNc1ccncn1.c1cc[nH]c1
InChIInChI=1S/C5H5N3O.C4H5N/c9-4-8-5-1-2-6-3-7-5;1-2-4-5-3-1/h1-4H,(H,6,7,8,9);1-5H
InChIKeyQBABQDJTPHAJHE-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.06
Rot. Bonds2

About N-pyrimidin-4-ylformamide;1H-pyrrole

N-pyrimidin-4-ylformamide;1H-pyrrole (PubChem CID 174923984) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is N-pyrimidin-4-ylformamide;1H-pyrrole.

Molecular Properties

Compound NameN-pyrimidin-4-ylformamide;1H-pyrrole
PubChem CID174923984
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC NameN-pyrimidin-4-ylformamide;1H-pyrrole
SMILESO=CNc1ccncn1.c1cc[nH]c1
InChIInChI=1S/C5H5N3O.C4H5N/c9-4-8-5-1-2-6-3-7-5;1-2-4-5-3-1/h1-4H,(H,6,7,8,9);1-5H
InChIKeyQBABQDJTPHAJHE-UHFFFAOYSA-N
XLogP1.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;N-pyrimidin-4-ylformamide
CID 174972821
cyclopropane;N-pyridin-2-ylformamide
CID 170968327
pyrimidine;1H-pyrrole
CID 66594620
ethane;N-ethylpyrimidin-4-amine
CID 167491074
formic acid;N-pyrimidin-4-ylbenzenesulfonamide
CID 139434719
N-(2-pyrimidin-4-ylethyl)formamide
CID 57044040
N-methylpyrimidin-4-amine;propanedioic acid
CID 70381240
N-(5-nitro-2-pyridinyl)formamide
CID 91754326
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
N-pyrrol-1-ylpyrimidin-4-amine
CID 15158241
1-chloro-2-pyrimidin-4-ylhydrazine
CID 174607543
N-pyrimidin-4-ylbutanamide
CID 130272746

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-ylformamide;1H-pyrrole?
The IUPAC name of N-pyrimidin-4-ylformamide;1H-pyrrole (CID 174923984) is N-pyrimidin-4-ylformamide;1H-pyrrole.
What is the SMILES notation for N-pyrimidin-4-ylformamide;1H-pyrrole?
The canonical SMILES for N-pyrimidin-4-ylformamide;1H-pyrrole is O=CNc1ccncn1.c1cc[nH]c1.
What is the InChIKey of N-pyrimidin-4-ylformamide;1H-pyrrole?
The InChIKey is QBABQDJTPHAJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O.C4H5N/c9-4-8-5-1-2-6-3-7-5;1-2-4-5-3-1/h1-4H,(H,6,7,8,9);1-5H.
What are the key properties of N-pyrimidin-4-ylformamide;1H-pyrrole?
N-pyrimidin-4-ylformamide;1H-pyrrole has a molecular weight of 190.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-4-ylformamide;1H-pyrrole is sourced from PubChem (CID 174923984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).