N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine

C12H20ClN3O — CID 82951094

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1nc(C)cc(Cl)n1)C(C)C
InChIInChI=1S/C12H20ClN3O/c1-9(2)16(5-6-17-4)8-12-14-10(3)7-11(13)15-12/h7,9H,5-6,8H2,1-4H3
InChIKeyDETQHCUVOQHJOI-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.30
Rot. Bonds6

About N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine (PubChem CID 82951094) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
PubChem CID82951094
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1nc(C)cc(Cl)n1)C(C)C
InChIInChI=1S/C12H20ClN3O/c1-9(2)16(5-6-17-4)8-12-14-10(3)7-11(13)15-12/h7,9H,5-6,8H2,1-4H3
InChIKeyDETQHCUVOQHJOI-UHFFFAOYSA-N
XLogP2.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 80664465
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate
CID 80658262
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632134
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80657862
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 80663277
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 80663541
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 80664458
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 80663064
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
CID 80656944
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol
CID 80664963
4-chloro-6-methyl-2-(4-methylpentoxymethyl)pyrimidine
CID 80663438
N-(2-methoxyethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103438491

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine (CID 82951094) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine is COCCN(Cc1nc(C)cc(Cl)n1)C(C)C.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is DETQHCUVOQHJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-9(2)16(5-6-17-4)8-12-14-10(3)7-11(13)15-12/h7,9H,5-6,8H2,1-4H3.
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 82951094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).