N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine

C9H14N4O — CID 112638736

IUPACN-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC2CNC2)n1
InChIInChI=1S/C9H14N4O/c1-2-14-8-3-4-11-9(13-8)12-7-5-10-6-7/h3-4,7,10H,2,5-6H2,1H3,(H,11,12,13)
InChIKeyQYDLTORJSBMFDI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.26
Rot. Bonds4

About N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine

N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine (PubChem CID 112638736) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
PubChem CID112638736
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC2CNC2)n1
InChIInChI=1S/C9H14N4O/c1-2-14-8-3-4-11-9(13-8)12-7-5-10-6-7/h3-4,7,10H,2,5-6H2,1H3,(H,11,12,13)
InChIKeyQYDLTORJSBMFDI-UHFFFAOYSA-N
XLogP0.26
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
CID 112639257
4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
CID 112637934
N-(azetidin-3-yl)-6-ethoxypyridin-2-amine
CID 66187269
3-[(4-ethoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 112636158
(3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 154822618
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
4-ethoxy-N-(2-methoxycyclopentyl)pyrimidin-2-amine
CID 112637423
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
CID 115975685
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417
3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine
CID 112638750

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine (CID 112638736) is N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NC2CNC2)n1.
What is the InChIKey of N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine?
The InChIKey is QYDLTORJSBMFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-14-8-3-4-11-9(13-8)12-7-5-10-6-7/h3-4,7,10H,2,5-6H2,1H3,(H,11,12,13).
What are the key properties of N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine?
N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine has a molecular weight of 194.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112638736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).