N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine

C14H19N5O — CID 63989399

IUPACN-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nc(-c2ccncn2)nc1C
InChIInChI=1S/C14H19N5O/c1-10-12(8-15-6-7-20-3)11(2)19-14(18-10)13-4-5-16-9-17-13/h4-5,9,15H,6-8H2,1-3H3
InChIKeySZEKREVMPAKBQW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.29
Rot. Bonds6

About N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine

N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine (PubChem CID 63989399) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
PubChem CID63989399
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nc(-c2ccncn2)nc1C
InChIInChI=1S/C14H19N5O/c1-10-12(8-15-6-7-20-3)11(2)19-14(18-10)13-4-5-16-9-17-13/h4-5,9,15H,6-8H2,1-3H3
InChIKeySZEKREVMPAKBQW-UHFFFAOYSA-N
XLogP1.29
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62746727
4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine
CID 63985246
5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984854
3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol
CID 107922151
2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine
CID 62744609
N,5,6-trimethyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984848
2-methoxy-N-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62744312
N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine
CID 64867710
2-methoxy-N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 102929127
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62744443
2-(2-methoxyethoxy)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62747851
N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66307314

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine (CID 63989399) is N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine is COCCNCc1c(C)nc(-c2ccncn2)nc1C.
What is the InChIKey of N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is SZEKREVMPAKBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-12(8-15-6-7-20-3)11(2)19-14(18-10)13-4-5-16-9-17-13/h4-5,9,15H,6-8H2,1-3H3.
What are the key properties of N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 273.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63989399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).