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

C9H13N3O — CID 43610313

IUPACN-(oxan-4-yl)pyrimidin-2-amine
SMILESc1cnc(NC2CCOCC2)nc1
InChIInChI=1S/C9H13N3O/c1-4-10-9(11-5-1)12-8-2-6-13-7-3-8/h1,4-5,8H,2-3,6-7H2,(H,10,11,12)
InChIKeyMPHWXORUAMKZIT-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.07
Rot. Bonds2

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

N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 43610313) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)pyrimidin-2-amine
PubChem CID43610313
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(oxan-4-yl)pyrimidin-2-amine
SMILESc1cnc(NC2CCOCC2)nc1
InChIInChI=1S/C9H13N3O/c1-4-10-9(11-5-1)12-8-2-6-13-7-3-8/h1,4-5,8H,2-3,6-7H2,(H,10,11,12)
InChIKeyMPHWXORUAMKZIT-UHFFFAOYSA-N
XLogP1.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(oxan-4-yl)pyrimidin-2-amine (CID 43610313) is N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(oxan-4-yl)pyrimidin-2-amine is c1cnc(NC2CCOCC2)nc1.
What is the InChIKey of N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is MPHWXORUAMKZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-10-9(11-5-1)12-8-2-6-13-7-3-8/h1,4-5,8H,2-3,6-7H2,(H,10,11,12).
What are the key properties of N-(oxan-4-yl)pyrimidin-2-amine?
N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 43610313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).