4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine

C13H22N4O — CID 112637316

IUPAC4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCC2CCCCN2C)n1
InChIInChI=1S/C13H22N4O/c1-3-18-12-7-8-14-13(16-12)15-10-11-6-4-5-9-17(11)2/h7-8,11H,3-6,9-10H2,1-2H3,(H,14,15,16)
InChIKeyFWHZKTHGGLDICF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.77
Rot. Bonds5

About 4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine

4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine (PubChem CID 112637316) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
PubChem CID112637316
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCC2CCCCN2C)n1
InChIInChI=1S/C13H22N4O/c1-3-18-12-7-8-14-13(16-12)15-10-11-6-4-5-9-17(11)2/h7-8,11H,3-6,9-10H2,1-2H3,(H,14,15,16)
InChIKeyFWHZKTHGGLDICF-UHFFFAOYSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114138482
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 106028625
4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 115355065
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404
4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine
CID 115974598
2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 106024746
N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639496
N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639314
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447537

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine (CID 112637316) is 4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine is CCOc1ccnc(NCC2CCCCN2C)n1.
What is the InChIKey of 4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is FWHZKTHGGLDICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-18-12-7-8-14-13(16-12)15-10-11-6-4-5-9-17(11)2/h7-8,11H,3-6,9-10H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine?
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112637316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).