N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine

C15H27N3O — CID 80950123

IUPACN-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
SMILESCCCCCCOc1cc(NCC)nc(CCC)n1
InChIInChI=1S/C15H27N3O/c1-4-7-8-9-11-19-15-12-14(16-6-3)17-13(18-15)10-5-2/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyNBFHXDJKSHANOW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.82
Rot. Bonds10

About N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine

N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine (PubChem CID 80950123) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
PubChem CID80950123
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
SMILESCCCCCCOc1cc(NCC)nc(CCC)n1
InChIInChI=1S/C15H27N3O/c1-4-7-8-9-11-19-15-12-14(16-6-3)17-13(18-15)10-5-2/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyNBFHXDJKSHANOW-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.82
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-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine
CID 82454405
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
N-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine (CID 80950123) is N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine is CCCCCCOc1cc(NCC)nc(CCC)n1.
What is the InChIKey of N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine?
The InChIKey is NBFHXDJKSHANOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-7-8-9-11-19-15-12-14(16-6-3)17-13(18-15)10-5-2/h12H,4-11H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine?
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80950123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).