2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine

C13H22N4O — CID 112638848

IUPAC2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
SMILESCCCOc1ccnc(N2CCC(N)CC2C)n1
InChIInChI=1S/C13H22N4O/c1-3-8-18-12-4-6-15-13(16-12)17-7-5-11(14)9-10(17)2/h4,6,10-11H,3,5,7-9,14H2,1-2H3
InChIKeyYIKRTRYVZNTCEN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine

2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine (PubChem CID 112638848) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
PubChem CID112638848
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
SMILESCCCOc1ccnc(N2CCC(N)CC2C)n1
InChIInChI=1S/C13H22N4O/c1-3-8-18-12-4-6-15-13(16-12)17-7-5-11(14)9-10(17)2/h4,6,10-11H,3,5,7-9,14H2,1-2H3
InChIKeyYIKRTRYVZNTCEN-UHFFFAOYSA-N
XLogP1.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methanamine
CID 112638683
3-ethyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
CID 112638807
ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate
CID 115975575
2-(4-bromo-3-methylpiperidin-1-yl)-4-propoxypyrimidine
CID 114682716
4-methyl-5-(4-propoxypyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 112638761
2-(2,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 116796790
1-(4-propoxypyrimidin-2-yl)piperazine-2-carboxylic acid
CID 112638719
1-(5-bromopyrimidin-2-yl)-2-methylpiperidin-4-amine
CID 115313485
N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 115975651
4-propoxypyrimidin-2-amine
CID 79002172
[1-(4-methoxypyrimidin-2-yl)-6-methylpiperidin-3-yl]methanamine
CID 62586902
2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 62864691

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of 2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine (CID 112638848) is 2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for 2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine is CCCOc1ccnc(N2CCC(N)CC2C)n1.
What is the InChIKey of 2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine?
The InChIKey is YIKRTRYVZNTCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-8-18-12-4-6-15-13(16-12)17-7-5-11(14)9-10(17)2/h4,6,10-11H,3,5,7-9,14H2,1-2H3.
What are the key properties of 2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine?
2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 112638848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).