(4-aminopyrimidin-5-yl) formate

C5H5N3O2 — CID 90748314

IUPAC(4-aminopyrimidin-5-yl) formate
SMILESNc1ncncc1OC=O
InChIInChI=1S/C5H5N3O2/c6-5-4(10-3-9)1-7-2-8-5/h1-3H,(H2,6,7,8)
InChIKeyIDBQDCMOARKOSM-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.41
Rot. Bonds2

About (4-aminopyrimidin-5-yl) formate

(4-aminopyrimidin-5-yl) formate (PubChem CID 90748314) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is (4-aminopyrimidin-5-yl) formate.

Molecular Properties

Compound Name(4-aminopyrimidin-5-yl) formate
PubChem CID90748314
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name(4-aminopyrimidin-5-yl) formate
SMILESNc1ncncc1OC=O
InChIInChI=1S/C5H5N3O2/c6-5-4(10-3-9)1-7-2-8-5/h1-3H,(H2,6,7,8)
InChIKeyIDBQDCMOARKOSM-UHFFFAOYSA-N
XLogP-0.41
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-bromo-3-pyridinyl) formate
CID 121338216
5-(2-aminoethoxy)pyrimidin-4-amine
CID 151831045
5-propan-2-yloxypyrimidin-4-amine
CID 118598636
2-(4-aminopyrimidin-5-yl)ethyl formate
CID 174505971
N-[2-(4-aminopyrimidin-5-yl)oxyethyl]-N-methylprop-2-enamide
CID 156766259
4-aminopyrimidine-5-thiol
CID 91218144
(5-amino-2-pyridinyl) formate
CID 58116290
(4-aminopyrimidin-5-yl)boronic acid
CID 66664909
pyrimidine;pyrimidine-4,5-diamine
CID 157174109
pteridine-6,7-diamine
CID 119097307
2-(4,6-diaminopyrimidin-5-yl)ethyl formate
CID 174932996
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 14042005

Frequently Asked Questions

What is the IUPAC name of (4-aminopyrimidin-5-yl) formate?
The IUPAC name of (4-aminopyrimidin-5-yl) formate (CID 90748314) is (4-aminopyrimidin-5-yl) formate.
What is the SMILES notation for (4-aminopyrimidin-5-yl) formate?
The canonical SMILES for (4-aminopyrimidin-5-yl) formate is Nc1ncncc1OC=O.
What is the InChIKey of (4-aminopyrimidin-5-yl) formate?
The InChIKey is IDBQDCMOARKOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c6-5-4(10-3-9)1-7-2-8-5/h1-3H,(H2,6,7,8).
What are the key properties of (4-aminopyrimidin-5-yl) formate?
(4-aminopyrimidin-5-yl) formate has a molecular weight of 139.11 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrimidin-5-yl) formate is sourced from PubChem (CID 90748314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).