2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine

C16H27N3O2 — CID 80991354

IUPAC2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(OCC2CCOCC2)c1C
InChIInChI=1S/C16H27N3O2/c1-11-13(17-5)18-15(16(2,3)4)19-14(11)21-10-12-6-8-20-9-7-12/h12H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyAOKLHOWGDQJPLQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.93
Rot. Bonds4

About 2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine (PubChem CID 80991354) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine
PubChem CID80991354
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(OCC2CCOCC2)c1C
InChIInChI=1S/C16H27N3O2/c1-11-13(17-5)18-15(16(2,3)4)19-14(11)21-10-12-6-8-20-9-7-12/h12H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyAOKLHOWGDQJPLQ-UHFFFAOYSA-N
XLogP2.93
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,5-trimethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80872805
2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988043
2-tert-butyl-4-chloro-6-(cyclopropylmethoxy)-5-methylpyrimidine
CID 80974383
2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine
CID 82010167
2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80972600
2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80989428
2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80873297
6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 80988606
4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine
CID 80972734
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933
2-tert-butyl-6-N,5-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80983616
[5-methyl-6-(oxolan-3-ylmethoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001634

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine (CID 80991354) is 2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(OCC2CCOCC2)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine?
The InChIKey is AOKLHOWGDQJPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11-13(17-5)18-15(16(2,3)4)19-14(11)21-10-12-6-8-20-9-7-12/h12H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80991354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).