5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine

C13H23N3O2 — CID 80989543

IUPAC5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OCCOC(C)C
InChIInChI=1S/C13H23N3O2/c1-8(2)12-15-11(14)10(5)13(16-12)18-7-6-17-9(3)4/h8-9H,6-7H2,1-5H3,(H2,14,15,16)
InChIKeyDRDNQEYWKNFKTP-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.29
Rot. Bonds6

About 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine

5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine (PubChem CID 80989543) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
PubChem CID80989543
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OCCOC(C)C
InChIInChI=1S/C13H23N3O2/c1-8(2)12-15-11(14)10(5)13(16-12)18-7-6-17-9(3)4/h8-9H,6-7H2,1-5H3,(H2,14,15,16)
InChIKeyDRDNQEYWKNFKTP-UHFFFAOYSA-N
XLogP2.29
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990527
5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
CID 114471200
6-(2-cyclobutylethoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114158255
4-N,5-dimethyl-2-propan-2-yl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068833
5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80990497
5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80988435
6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989394
5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine
CID 80991169
5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990262
6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988578
4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80974281

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine (CID 80989543) is 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1OCCOC(C)C.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
The InChIKey is DRDNQEYWKNFKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)12-15-11(14)10(5)13(16-12)18-7-6-17-9(3)4/h8-9H,6-7H2,1-5H3,(H2,14,15,16).
What are the key properties of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80989543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).