5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine

C14H15N5O — CID 163235773

IUPAC5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cc(N3C[C@@H]4C[C@H]3CO4)ncn2)cn1
InChIInChI=1S/C14H15N5O/c15-13-2-1-9(5-16-13)12-4-14(18-8-17-12)19-6-11-3-10(19)7-20-11/h1-2,4-5,8,10-11H,3,6-7H2,(H2,15,16)/t10-,11-/m0/s1
InChIKeyARUJOEXBDIIPEV-QWRGUYRKSA-N
MW269.31 g/mol
LogP1.10
Rot. Bonds2

About 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine

5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine (PubChem CID 163235773) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
PubChem CID163235773
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cc(N3C[C@@H]4C[C@H]3CO4)ncn2)cn1
InChIInChI=1S/C14H15N5O/c15-13-2-1-9(5-16-13)12-4-14(18-8-17-12)19-6-11-3-10(19)7-20-11/h1-2,4-5,8,10-11H,3,6-7H2,(H2,15,16)/t10-,11-/m0/s1
InChIKeyARUJOEXBDIIPEV-QWRGUYRKSA-N
XLogP1.10
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine (CID 163235773) is 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine is Nc1ccc(-c2cc(N3C[C@@H]4C[C@H]3CO4)ncn2)cn1.
What is the InChIKey of 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine?
The InChIKey is ARUJOEXBDIIPEV-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H15N5O/c15-13-2-1-9(5-16-13)12-4-14(18-8-17-12)19-6-11-3-10(19)7-20-11/h1-2,4-5,8,10-11H,3,6-7H2,(H2,15,16)/t10-,11-/m0/s1.
What are the key properties of 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine?
5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 163235773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).