N-(4-aminopyrimidin-5-yl)formamide

C5H6N4O — CID 21475291

IUPACN-(4-aminopyrimidin-5-yl)formamide
SMILESNc1ncncc1NC=O
InChIInChI=1S/C5H6N4O/c6-5-4(9-3-10)1-7-2-8-5/h1-3H,(H,9,10)(H2,6,7,8)
InChIKeyUIOQNZBJJRKZCR-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.37
Rot. Bonds2

About N-(4-aminopyrimidin-5-yl)formamide

N-(4-aminopyrimidin-5-yl)formamide (PubChem CID 21475291) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is N-(4-aminopyrimidin-5-yl)formamide.

Molecular Properties

Compound NameN-(4-aminopyrimidin-5-yl)formamide
PubChem CID21475291
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC NameN-(4-aminopyrimidin-5-yl)formamide
SMILESNc1ncncc1NC=O
InChIInChI=1S/C5H6N4O/c6-5-4(9-3-10)1-7-2-8-5/h1-3H,(H,9,10)(H2,6,7,8)
InChIKeyUIOQNZBJJRKZCR-UHFFFAOYSA-N
XLogP-0.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminopyrimidin-5-yl)formamide?
The IUPAC name of N-(4-aminopyrimidin-5-yl)formamide (CID 21475291) is N-(4-aminopyrimidin-5-yl)formamide.
What is the SMILES notation for N-(4-aminopyrimidin-5-yl)formamide?
The canonical SMILES for N-(4-aminopyrimidin-5-yl)formamide is Nc1ncncc1NC=O.
What is the InChIKey of N-(4-aminopyrimidin-5-yl)formamide?
The InChIKey is UIOQNZBJJRKZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-5-4(9-3-10)1-7-2-8-5/h1-3H,(H,9,10)(H2,6,7,8).
What are the key properties of N-(4-aminopyrimidin-5-yl)formamide?
N-(4-aminopyrimidin-5-yl)formamide has a molecular weight of 138.13 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopyrimidin-5-yl)formamide is sourced from PubChem (CID 21475291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).