N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane

C13H24N4O — CID 143899666

IUPACN-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane
SMILESCCC.CNc1nccc(OC2CCNCC2)n1
InChIInChI=1S/C10H16N4O.C3H8/c1-11-10-13-7-4-9(14-10)15-8-2-5-12-6-3-8;1-3-2/h4,7-8,12H,2-3,5-6H2,1H3,(H,11,13,14);3H2,1-2H3
InChIKeyKMMYKUTWQASXSW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.07
Rot. Bonds3

About N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane

N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane (PubChem CID 143899666) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane.

Molecular Properties

Compound NameN-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane
PubChem CID143899666
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane
SMILESCCC.CNc1nccc(OC2CCNCC2)n1
InChIInChI=1S/C10H16N4O.C3H8/c1-11-10-13-7-4-9(14-10)15-8-2-5-12-6-3-8;1-3-2/h4,7-8,12H,2-3,5-6H2,1H3,(H,11,13,14);3H2,1-2H3
InChIKeyKMMYKUTWQASXSW-UHFFFAOYSA-N
XLogP2.07
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-N-methyl-2-pyrimidinamine
CID 23422138
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
2,4-Diethoxypyrimidine
CID 224854
Pyrimidine, 2-amino-4-(2-dibutylaminoethoxy)-
CID 3025151
Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
CID 3025152
Pyrimidine, 2-amino-4-(2-diisobutylaminoethoxy)-
CID 3025153
Pyrimidine, 2-amino-4-(2-dimethylaminoethoxy)-
CID 3025154
4-Methoxy-2-(piperazin-1-yl)pyrimidine
CID 11480987
Pyrimidine, 4-isopropoxy-2-methyl-
CID 21630681
Pyrimidine, 2-amino-4-(2-dioctylaminoethoxy)-
CID 3025155
Pyrimidine, 2-amino-4-(2-di-sec-butylaminoethoxy)-
CID 24845029
1-(4-Methoxypyrimidin-2-yl)-1,4-diazepane
CID 16777398

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane?
The IUPAC name of N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane (CID 143899666) is N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane.
What is the SMILES notation for N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane?
The canonical SMILES for N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane is CCC.CNc1nccc(OC2CCNCC2)n1.
What is the InChIKey of N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane?
The InChIKey is KMMYKUTWQASXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.C3H8/c1-11-10-13-7-4-9(14-10)15-8-2-5-12-6-3-8;1-3-2/h4,7-8,12H,2-3,5-6H2,1H3,(H,11,13,14);3H2,1-2H3.
What are the key properties of N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane?
N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane has a molecular weight of 252.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane is sourced from PubChem (CID 143899666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).