2-(oxan-4-yl)pyrimidin-5-amine

C9H13N3O — CID 62384450

IUPAC2-(oxan-4-yl)pyrimidin-5-amine
SMILESNc1cnc(C2CCOCC2)nc1
InChIInChI=1S/C9H13N3O/c10-8-5-11-9(12-6-8)7-1-3-13-4-2-7/h5-7H,1-4,10H2
InChIKeySLVLBLHKCJGWAR-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.95
Rot. Bonds1

About 2-(oxan-4-yl)pyrimidin-5-amine

2-(oxan-4-yl)pyrimidin-5-amine (PubChem CID 62384450) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(oxan-4-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(oxan-4-yl)pyrimidin-5-amine
PubChem CID62384450
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(oxan-4-yl)pyrimidin-5-amine
SMILESNc1cnc(C2CCOCC2)nc1
InChIInChI=1S/C9H13N3O/c10-8-5-11-9(12-6-8)7-1-3-13-4-2-7/h5-7H,1-4,10H2
InChIKeySLVLBLHKCJGWAR-UHFFFAOYSA-N
XLogP0.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 5-amino-2-butoxy-
CID 3041747
5-Bromo-2-(oxan-4-yl)pyrimidine
CID 76848543
2-Cyclobutylpyrimidin-5-amine
CID 49758794
2-Cyclopentylpyrimidin-5-amine
CID 49758795
2-(Cyclopropylmethyl)pyrimidin-5-amine
CID 80484375
2-Cyclohexylpyrimidin-5-amine
CID 43142237
2-(Butan-2-yl)pyrimidin-5-amine
CID 62313785
2-(Cyclobutylmethyl)pyrimidin-5-amine
CID 126979831
4-(Pyrimidin-2-yl)oxan-4-amine
CID 126980358
2-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 140316910
2-(4-Fluorooxan-4-yl)pyrimidine
CID 141510013
4-[Fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine
CID 146166280

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)pyrimidin-5-amine?
The IUPAC name of 2-(oxan-4-yl)pyrimidin-5-amine (CID 62384450) is 2-(oxan-4-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(oxan-4-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(oxan-4-yl)pyrimidin-5-amine is Nc1cnc(C2CCOCC2)nc1.
What is the InChIKey of 2-(oxan-4-yl)pyrimidin-5-amine?
The InChIKey is SLVLBLHKCJGWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-8-5-11-9(12-6-8)7-1-3-13-4-2-7/h5-7H,1-4,10H2.
What are the key properties of 2-(oxan-4-yl)pyrimidin-5-amine?
2-(oxan-4-yl)pyrimidin-5-amine has a molecular weight of 179.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)pyrimidin-5-amine is sourced from PubChem (CID 62384450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).