6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine

C11H18ClN3O — CID 80971330

IUPAC6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCCOC)n1
InChIInChI=1S/C11H18ClN3O/c1-4-5-9-14-10(12)8(2)11(15-9)13-6-7-16-3/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyOIVRBBRTBBNICU-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.45
Rot. Bonds6

About 6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80971330) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80971330
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCCOC)n1
InChIInChI=1S/C11H18ClN3O/c1-4-5-9-14-10(12)8(2)11(15-9)13-6-7-16-3/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyOIVRBBRTBBNICU-UHFFFAOYSA-N
XLogP2.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.45
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

N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80971632
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63734406
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80972477
N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106341464
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
CID 106197257
6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine
CID 106405598
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 82459192
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80971330) is 6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCCOC)n1.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is OIVRBBRTBBNICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-5-9-14-10(12)8(2)11(15-9)13-6-7-16-3/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 243.74 g/mol, XLogP of 2.45, 6 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)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80971330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).