4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine

C9H12N4O — CID 131187094

IUPAC4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine
SMILESNc1nccc(N2CC3CC2CO3)n1
InChIInChI=1S/C9H12N4O/c10-9-11-2-1-8(12-9)13-4-7-3-6(13)5-14-7/h1-2,6-7H,3-5H2,(H2,10,11,12)
InChIKeyBHFAONDVJMXWBS-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.04
Rot. Bonds1

About 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine

4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine (PubChem CID 131187094) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine
PubChem CID131187094
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine
SMILESNc1nccc(N2CC3CC2CO3)n1
InChIInChI=1S/C9H12N4O/c10-9-11-2-1-8(12-9)13-4-7-3-6(13)5-14-7/h1-2,6-7H,3-5H2,(H2,10,11,12)
InChIKeyBHFAONDVJMXWBS-UHFFFAOYSA-N
XLogP0.04
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4S)-5-(2-pyridin-2-ylpyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 141429230
5-[6-(chloromethyl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131186257
5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 163235773
6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde
CID 130894479
(1S,4S)-5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169246358
5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131048767
4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80795705
(1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 175860309
5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 126853540
5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 121020713
(1R,4S)-5-(5-bromopyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129322117
5-[2-[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 118876458

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine (CID 131187094) is 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine is Nc1nccc(N2CC3CC2CO3)n1.
What is the InChIKey of 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine?
The InChIKey is BHFAONDVJMXWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-9-11-2-1-8(12-9)13-4-7-3-6(13)5-14-7/h1-2,6-7H,3-5H2,(H2,10,11,12).
What are the key properties of 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine?
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine has a molecular weight of 192.22 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 131187094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).