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

C16H28N4O — CID 66331992

IUPACN-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1c1cc(OCCC)ncn1
InChIInChI=1S/C16H28N4O/c1-3-8-17-12-14-7-5-6-9-20(14)15-11-16(19-13-18-15)21-10-4-2/h11,13-14,17H,3-10,12H2,1-2H3
InChIKeyJTGFBYDGPHSSDK-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.62
Rot. Bonds8

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

N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 66331992) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID66331992
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1c1cc(OCCC)ncn1
InChIInChI=1S/C16H28N4O/c1-3-8-17-12-14-7-5-6-9-20(14)15-11-16(19-13-18-15)21-10-4-2/h11,13-14,17H,3-10,12H2,1-2H3
InChIKeyJTGFBYDGPHSSDK-UHFFFAOYSA-N
XLogP2.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 66331786
N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66331777
N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
CID 66318799
4-[2-(2-chloroethyl)piperidin-1-yl]-6-propoxypyrimidine
CID 66333215
N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62592327
2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 66333388
N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 63586483
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 80663054
N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 66331814
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 66331141
methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66318081
N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66332385

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine (CID 66331992) is N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1c1cc(OCCC)ncn1.
What is the InChIKey of N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is JTGFBYDGPHSSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-8-17-12-14-7-5-6-9-20(14)15-11-16(19-13-18-15)21-10-4-2/h11,13-14,17H,3-10,12H2,1-2H3.
What are the key properties of N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66331992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).