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

C14H24ClN3O — CID 80971632

IUPACN-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCCOCCNc1nc(CCC)nc(Cl)c1C
InChIInChI=1S/C14H24ClN3O/c1-4-6-9-19-10-8-16-14-11(3)13(15)17-12(18-14)7-5-2/h4-10H2,1-3H3,(H,16,17,18)
InChIKeyHTEYMAXNSBIAET-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.62
Rot. Bonds9

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

N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80971632) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80971632
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC NameN-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCCOCCNc1nc(CCC)nc(Cl)c1C
InChIInChI=1S/C14H24ClN3O/c1-4-6-9-19-10-8-16-14-11(3)13(15)17-12(18-14)7-5-2/h4-10H2,1-3H3,(H,16,17,18)
InChIKeyHTEYMAXNSBIAET-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.62
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
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
N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729398
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311493
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-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine (CID 80971632) is N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine is CCCCOCCNc1nc(CCC)nc(Cl)c1C.
What is the InChIKey of N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is HTEYMAXNSBIAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-4-6-9-19-10-8-16-14-11(3)13(15)17-12(18-14)7-5-2/h4-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 285.82 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80971632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).