N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine

C12H18N4O — CID 80851519

IUPACN-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
SMILESCCNc1nccc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C12H18N4O/c1-2-13-12-14-6-5-11(15-12)16-7-9-3-4-10(8-16)17-9/h5-6,9-10H,2-4,7-8H2,1H3,(H,13,14,15)
InChIKeyQJOOFWRKRPMNNF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds3

About N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine

N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine (PubChem CID 80851519) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
PubChem CID80851519
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
SMILESCCNc1nccc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C12H18N4O/c1-2-13-12-14-6-5-11(15-12)16-7-9-3-4-10(8-16)17-9/h5-6,9-10H,2-4,7-8H2,1H3,(H,13,14,15)
InChIKeyQJOOFWRKRPMNNF-UHFFFAOYSA-N
XLogP1.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351033
N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
CID 80766699
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82692303
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine
CID 80854955
4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 146074375
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 166601436
4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80764577

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine (CID 80851519) is N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine is CCNc1nccc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine?
The InChIKey is QJOOFWRKRPMNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-13-12-14-6-5-11(15-12)16-7-9-3-4-10(8-16)17-9/h5-6,9-10H,2-4,7-8H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine?
N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine has a molecular weight of 234.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 80851519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).