N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

C16H28N4O — CID 102967713

IUPACN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCC(C)C(OC)C2)nc1C
InChIInChI=1S/C16H28N4O/c1-5-7-17-9-14-10-18-16(19-13(14)3)20-8-6-12(2)15(11-20)21-4/h10,12,15,17H,5-9,11H2,1-4H3
InChIKeyFTNOQUAYBUJDTI-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.15
Rot. Bonds6

About N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 102967713) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
PubChem CID102967713
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCC(C)C(OC)C2)nc1C
InChIInChI=1S/C16H28N4O/c1-5-7-17-9-14-10-18-16(19-13(14)3)20-8-6-12(2)15(11-20)21-4/h10,12,15,17H,5-9,11H2,1-4H3
InChIKeyFTNOQUAYBUJDTI-UHFFFAOYSA-N
XLogP2.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185384
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103503036
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968411
N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185152
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 102967632
N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 102967586
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185621
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185190
N-[[4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968519
N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83185179
N-cyclopropyl-N-(2-methoxyethyl)-4-methyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185808
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83185436

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (CID 102967713) is N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCC(C)C(OC)C2)nc1C.
What is the InChIKey of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is FTNOQUAYBUJDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-7-17-9-14-10-18-16(19-13(14)3)20-8-6-12(2)15(11-20)21-4/h10,12,15,17H,5-9,11H2,1-4H3.
What are the key properties of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 102967713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).