6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine

C15H21N5O — CID 102952693

IUPAC6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2cc(OC)ncn2)n1
InChIInChI=1S/C15H21N5O/c1-6-16-12-8-11(15(2,3)4)19-14(20-12)10-7-13(21-5)18-9-17-10/h7-9H,6H2,1-5H3,(H,16,19,20)
InChIKeyJRAXTRJORDSLBS-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.67
Rot. Bonds4

About 6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine

6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine (PubChem CID 102952693) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine
PubChem CID102952693
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2cc(OC)ncn2)n1
InChIInChI=1S/C15H21N5O/c1-6-16-12-8-11(15(2,3)4)19-14(20-12)10-7-13(21-5)18-9-17-10/h7-9H,6H2,1-5H3,(H,16,19,20)
InChIKeyJRAXTRJORDSLBS-UHFFFAOYSA-N
XLogP2.67
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 102952685
N-ethyl-2-(6-methoxypyrimidin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472486
2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 102952684
6-tert-butyl-2-(3,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 63486811
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
2-(6-methoxypyrimidin-4-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 102952705
6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 63479987
6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 63480834
6-tert-butyl-2-(3,4-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 63485589
6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine
CID 63480321
6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 63485047
2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 103083746

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine (CID 102952693) is 6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(-c2cc(OC)ncn2)n1.
What is the InChIKey of 6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine?
The InChIKey is JRAXTRJORDSLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-6-16-12-8-11(15(2,3)4)19-14(20-12)10-7-13(21-5)18-9-17-10/h7-9H,6H2,1-5H3,(H,16,19,20).
What are the key properties of 6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine?
6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 102952693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).