N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine

C16H28N4O — CID 83188313

IUPACN-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(OCCN2CCCCC2)ncc1CNC(C)C
InChIInChI=1S/C16H28N4O/c1-13(2)17-11-15-12-18-16(19-14(15)3)21-10-9-20-7-5-4-6-8-20/h12-13,17H,4-11H2,1-3H3
InChIKeyUHWVZMBSKGZSQL-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.15
Rot. Bonds7

About N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83188313) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83188313
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(OCCN2CCCCC2)ncc1CNC(C)C
InChIInChI=1S/C16H28N4O/c1-13(2)17-11-15-12-18-16(19-14(15)3)21-10-9-20-7-5-4-6-8-20/h12-13,17H,4-11H2,1-3H3
InChIKeyUHWVZMBSKGZSQL-UHFFFAOYSA-N
XLogP2.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methyl-2-(2-pyrrolidin-1-ylethoxy)pyrimidin-5-yl]methyl]ethanamine
CID 83189831
5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine
CID 83184339
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 106667482
N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928249
N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83189356
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-2-amine
CID 83189037
N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine
CID 83188748
N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 107696192
N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine
CID 83189501
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83180428

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine (CID 83188313) is N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(OCCN2CCCCC2)ncc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is UHWVZMBSKGZSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)17-11-15-12-18-16(19-14(15)3)21-10-9-20-7-5-4-6-8-20/h12-13,17H,4-11H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83188313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).