N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine

C13H22N4O — CID 112635016

IUPACN-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(N(CC)C2CNC2)n1
InChIInChI=1S/C13H22N4O/c1-4-6-18-12-7-10(3)15-13(16-12)17(5-2)11-8-14-9-11/h7,11,14H,4-6,8-9H2,1-3H3
InChIKeyZRUCTUPWEUOZCK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.37
Rot. Bonds6

About N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine

N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 112635016) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID112635016
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(N(CC)C2CNC2)n1
InChIInChI=1S/C13H22N4O/c1-4-6-18-12-7-10(3)15-13(16-12)17(5-2)11-8-14-9-11/h7,11,14H,4-6,8-9H2,1-3H3
InChIKeyZRUCTUPWEUOZCK-UHFFFAOYSA-N
XLogP1.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4,6-dimethyl-N-piperidin-3-ylpyrimidin-2-amine
CID 55245888
N-(azetidin-3-yl)-N-ethyl-5-methoxy-2-methylpyridin-4-amine
CID 106660883
N-(azetidin-3-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 66182420
N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66214933
N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine
CID 115973532
N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine
CID 112634666
N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112635405
2-ethyl-4-methyl-6-propoxypyrimidine
CID 176993458
4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 115973542
4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 112638621
4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482
4-ethoxy-N,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 112635056

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine (CID 112635016) is N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(N(CC)C2CNC2)n1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is ZRUCTUPWEUOZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-6-18-12-7-10(3)15-13(16-12)17(5-2)11-8-14-9-11/h7,11,14H,4-6,8-9H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine?
N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 112635016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).