N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine

C14H25N5O2 — CID 60924156

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCOc1ncnc(OC)c1CNCCN1CCN(C)CC1
InChIInChI=1S/C14H25N5O2/c1-18-6-8-19(9-7-18)5-4-15-10-12-13(20-2)16-11-17-14(12)21-3/h11,15H,4-10H2,1-3H3
InChIKeyKJULLVVUEMOZAL-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.17
Rot. Bonds7

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 60924156) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID60924156
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCOc1ncnc(OC)c1CNCCN1CCN(C)CC1
InChIInChI=1S/C14H25N5O2/c1-18-6-8-19(9-7-18)5-4-15-10-12-13(20-2)16-11-17-14(12)21-3/h11,15H,4-10H2,1-3H3
InChIKeyKJULLVVUEMOZAL-UHFFFAOYSA-N
XLogP-0.17
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine (CID 60924156) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine is COc1ncnc(OC)c1CNCCN1CCN(C)CC1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is KJULLVVUEMOZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-18-6-8-19(9-7-18)5-4-15-10-12-13(20-2)16-11-17-14(12)21-3/h11,15H,4-10H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 295.39 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 60924156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).