2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine

C17H30N4 — CID 62587059

IUPAC2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
SMILESCCCc1cc(N2CCCCC2CNC(C)(C)C)ncn1
InChIInChI=1S/C17H30N4/c1-5-8-14-11-16(19-13-18-14)21-10-7-6-9-15(21)12-20-17(2,3)4/h11,13,15,20H,5-10,12H2,1-4H3
InChIKeyDOIBVGALAPPJQO-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.18
Rot. Bonds5

About 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 62587059) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID62587059
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
SMILESCCCc1cc(N2CCCCC2CNC(C)(C)C)ncn1
InChIInChI=1S/C17H30N4/c1-5-8-14-11-16(19-13-18-14)21-10-7-6-9-15(21)12-20-17(2,3)4/h11,13,15,20H,5-10,12H2,1-4H3
InChIKeyDOIBVGALAPPJQO-UHFFFAOYSA-N
XLogP3.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62592858
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]ethanamine
CID 83105610
N-methyl-1-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63854574
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104201
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62591990
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 80670776
[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116636939
N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
CID 66318799
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 55091054
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine
CID 66331992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine (CID 62587059) is 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine is CCCc1cc(N2CCCCC2CNC(C)(C)C)ncn1.
What is the InChIKey of 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is DOIBVGALAPPJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-8-14-11-16(19-13-18-14)21-10-7-6-9-15(21)12-20-17(2,3)4/h11,13,15,20H,5-10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 290.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62587059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).