6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine

C9H14ClN3O — CID 63734406

IUPAC6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
SMILESCOCCNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C9H14ClN3O/c1-6-8(10)12-7(2)13-9(6)11-4-5-14-3/h4-5H2,1-3H3,(H,11,12,13)
InChIKeyUVZJCTDSZSJFGL-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.81
Rot. Bonds4

About 6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 63734406) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID63734406
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
SMILESCOCCNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C9H14ClN3O/c1-6-8(10)12-7(2)13-9(6)11-4-5-14-3/h4-5H2,1-3H3,(H,11,12,13)
InChIKeyUVZJCTDSZSJFGL-UHFFFAOYSA-N
XLogP1.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 106197156
4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
CID 64910682
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55231599
6-chloro-2,5-dimethyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 63736491
4-N-[2-(2-methoxyethoxy)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80813103
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106192396
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 63730182
ethyl 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butanoate
CID 64574900
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
tert-butyl N-[3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]propyl]carbamate
CID 114518265

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine (CID 63734406) is 6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine is COCCNc1nc(C)nc(Cl)c1C.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is UVZJCTDSZSJFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6-8(10)12-7(2)13-9(6)11-4-5-14-3/h4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 215.68 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63734406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).