N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine

C14H25N3O — CID 80942333

IUPACN,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(OC(C)CC(C)C)nc(CC)n1
InChIInChI=1S/C14H25N3O/c1-6-12-16-13(15-7-2)9-14(17-12)18-11(5)8-10(3)4/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyOYKDKVCPPTYLIN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.28
Rot. Bonds7

About N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine

N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine (PubChem CID 80942333) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine
PubChem CID80942333
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(OC(C)CC(C)C)nc(CC)n1
InChIInChI=1S/C14H25N3O/c1-6-12-16-13(15-7-2)9-14(17-12)18-11(5)8-10(3)4/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyOYKDKVCPPTYLIN-UHFFFAOYSA-N
XLogP3.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942175
2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989348
6-(1-ethoxypropan-2-yloxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 103491671
2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860245
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine
CID 80941264
2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942176
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine (CID 80942333) is N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine is CCNc1cc(OC(C)CC(C)C)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine?
The InChIKey is OYKDKVCPPTYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-12-16-13(15-7-2)9-14(17-12)18-11(5)8-10(3)4/h9-11H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine?
N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80942333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).